PubChemLite - 24-ethyllophenol (C30H52O)

Structural Information

Molecular Formula

SMILES

CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C(C)C

InChI

InChI=1S/C30H52O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h11,19-22,24-28,31H,8-10,12-18H2,1-7H3

InChIKey

IYIFZADLIMVECH-UHFFFAOYSA-N

Compound name

17-(5-ethyl-6-methylheptan-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]+	429.40910	215.6
[M+Na]+	451.39104	222.2
[M+NH4]+	446.43564	227.0
[M+K]+	467.36498	212.4
[M-H]-	427.39454	217.9
[M+Na-2H]-	449.37649	214.7
[M]+	428.40127	217.4
[M]-	428.40237	217.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.40910

215.6

[M+Na]+

451.39104

222.2

[M+NH4]+

446.43564

227.0

[M+K]+

467.36498

212.4

[M-H]-

427.39454

217.9

[M+Na-2H]-

449.37649

214.7

[M]+

428.40127

217.4

[M]-

428.40237

217.4

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

24-ethyllophenol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe