PubChemLite - Okm 5 (C29H32O10)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OCCOC(=O)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC(=O)OCCOC(=O)C(=C)C

InChI

InChI=1S/C29H32O10/c1-19(2)25(30)34-15-17-36-27(32)38-23-11-7-21(8-12-23)29(5,6)22-9-13-24(14-10-22)39-28(33)37-18-16-35-26(31)20(3)4/h7-14H,1,3,15-18H2,2,4-6H3

InChIKey

SXFHOXJWTISVLQ-UHFFFAOYSA-N

Compound name

2-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyloxy]phenyl]propan-2-yl]phenoxy]carbonyloxyethyl 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]+	541.20678	223.6
[M+Na]+	563.18872	224.5
[M-H]-	539.19222	228.6
[M+NH4]+	558.23332	218.1
[M+K]+	579.16266	225.5
[M+H-H2O]+	523.19676	214.1
[M+HCOO]-	585.19770	216.8
[M+CH3COO]-	599.21335	246.2
[M+Na-2H]-	561.17417	218.7
[M]+	540.19895	234.1
[M]-	540.20005	234.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

541.20678

223.6

[M+Na]+

563.18872

224.5

[M-H]-

539.19222

228.6

[M+NH4]+

558.23332

218.1

[M+K]+

579.16266

225.5

[M+H-H2O]+

523.19676

214.1

[M+HCOO]-

585.19770

216.8

[M+CH3COO]-

599.21335

246.2

[M+Na-2H]-

561.17417

218.7

[M]+

540.19895

234.1

[M]-

540.20005

234.1

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

Okm 5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe