PubChemLite - 9,19-cyclolanost-25-en-3-ol, 24-methyl-, (3.beta.,24s)- (C31H52O)

Structural Information

Molecular Formula

SMILES

CC(CCC(C)C(=C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C

InChI

InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h21-26,32H,1,9-19H2,2-8H3

InChIKey

IXHACUTUTOCSJE-UHFFFAOYSA-N

Compound name

15-(5,6-dimethylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-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]+	441.40910	207.9
[M+Na]+	463.39104	216.0
[M+NH4]+	458.43564	223.6
[M+K]+	479.36498	203.6
[M-H]-	439.39454	217.9
[M+Na-2H]-	461.37649	214.3
[M]+	440.40127	213.9
[M]-	440.40237	213.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.40910

207.9

[M+Na]+

463.39104

216.0

[M+NH4]+

458.43564

223.6

[M+K]+

479.36498

203.6

[M-H]-

439.39454

217.9

[M+Na-2H]-

461.37649

214.3

[M]+

440.40127

213.9

[M]-

440.40237

213.9

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

9,19-cyclolanost-25-en-3-ol, 24-methyl-, (3.beta.,24s)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe