PubChemLite - 24-methylene-29-norcycloartan-3-one (C30H48O)

Structural Information

Molecular Formula

SMILES

CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1=O)C)C(C)CCC(=C)C(C)C)C

InChI

InChI=1S/C30H48O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-24,26H,3,8-18H2,1-2,4-7H3

InChIKey

NFRXSIOHGADFRG-UHFFFAOYSA-N

Compound name

7,12,16-trimethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

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]+	425.37778	206.9
[M+Na]+	447.35972	210.0
[M-H]-	423.36322	211.6
[M+NH4]+	442.40432	224.0
[M+K]+	463.33366	205.6
[M+H-H2O]+	407.36776	201.3
[M+HCOO]-	469.36870	208.4
[M+CH3COO]-	483.38435	236.3
[M+Na-2H]-	445.34517	201.1
[M]+	424.36995	204.2
[M]-	424.37105	204.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.37778

206.9

[M+Na]+

447.35972

210.0

[M-H]-

423.36322

211.6

[M+NH4]+

442.40432

224.0

[M+K]+

463.33366

205.6

[M+H-H2O]+

407.36776

201.3

[M+HCOO]-

469.36870

208.4

[M+CH3COO]-

483.38435

236.3

[M+Na-2H]-

445.34517

201.1

[M]+

424.36995

204.2

[M]-

424.37105

204.2

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

24-methylene-29-norcycloartan-3-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe