PubChemLite - 2-propenoic acid, 2-methyl-, 2-1,3,3-trimethyl-5-2-(2-methyl-1-oxo-2-propenyl)oxyethoxycarbonylaminocyclohexylmethylaminocarbonyloxyethyl ester (C24H38N2O8)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OCCOC(=O)NCC1(CC(CC(C1)(C)C)NC(=O)OCCOC(=O)C(=C)C)C

InChI

InChI=1S/C24H38N2O8/c1-16(2)19(27)31-8-10-33-21(29)25-15-24(7)13-18(12-23(5,6)14-24)26-22(30)34-11-9-32-20(28)17(3)4/h18H,1,3,8-15H2,2,4-7H3,(H,25,29)(H,26,30)

InChIKey

JQRKAXLVSDRXNM-UHFFFAOYSA-N

Compound name

2-[[1,3,3-trimethyl-5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]cyclohexyl]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	483.27010	210.5
[M+Na]+	505.25204	210.3
[M-H]-	481.25554	229.1
[M+NH4]+	500.29664	233.5
[M+K]+	521.22598	211.8
[M+H-H2O]+	465.26008	205.6
[M+HCOO]-	527.26102	226.6
[M+CH3COO]-	541.27667	242.2
[M+Na-2H]-	503.23749	205.5
[M]+	482.26227	217.4
[M]-	482.26337	217.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.27010

210.5

[M+Na]+

505.25204

210.3

[M-H]-

481.25554

229.1

[M+NH4]+

500.29664

233.5

[M+K]+

521.22598

211.8

[M+H-H2O]+

465.26008

205.6

[M+HCOO]-

527.26102

226.6

[M+CH3COO]-

541.27667

242.2

[M+Na-2H]-

503.23749

205.5

[M]+

482.26227

217.4

[M]-

482.26337

217.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-propenoic acid, 2-methyl-, 2-1,3,3-trimethyl-5-2-(2-methyl-1-oxo-2-propenyl)oxyethoxycarbonylaminocyclohexylmethylaminocarbonyloxyethyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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