24a-methyllophenol (C29H50O)

Structural Information

Molecular Formula

SMILES

CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCC(C)C(C)C)C)C)O

InChI

InChI=1S/C29H50O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18-21,23-27,30H,8-9,11-17H2,1-7H3

InChIKey

AOQRDALGACAKHI-UHFFFAOYSA-N

Compound name

17-(5,6-dimethylheptan-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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]+	415.39345	212.6
[M+Na]+	437.37539	213.3
[M-H]-	413.37889	213.9
[M+NH4]+	432.41999	231.1
[M+K]+	453.34933	207.1
[M+H-H2O]+	397.38343	206.4
[M+HCOO]-	459.38437	215.0
[M+CH3COO]-	473.40002	233.3
[M+Na-2H]-	435.36084	204.0
[M]+	414.38562	205.8
[M]-	414.38672	205.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

415.39345

212.6

[M+Na]+

437.37539

213.3

[M-H]-

413.37889

213.9

[M+NH4]+

432.41999

231.1

[M+K]+

453.34933

207.1

[M+H-H2O]+

397.38343

206.4

[M+HCOO]-

459.38437

215.0

[M+CH3COO]-

473.40002

233.3

[M+Na-2H]-

435.36084

204.0

[M]+

414.38562

205.8

[M]-

414.38672

205.8

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

24a-methyllophenol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe