PubChemLite - O-trimethylsilylcholesterol (C30H54OSi)

Structural Information

Molecular Formula

SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C)C)C

InChI

InChI=1S/C30H54OSi/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(31-32(6,7)8)16-18-29(23,4)28(25)17-19-30(26,27)5/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t22-,24+,25+,26-,27+,28+,29+,30-/m1/s1

InChIKey

CBVJJGRSRFXUPK-OCBUSCMESA-N

Compound name

[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane

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]+	459.40166	220.1
[M+Na]+	481.38360	226.7
[M+NH4]+	476.42820	231.6
[M+K]+	497.35754	216.7
[M-H]-	457.38710	222.3
[M+Na-2H]-	479.36905	220.2
[M]+	458.39383	222.0
[M]-	458.39493	222.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.40166

220.1

[M+Na]+

481.38360

226.7

[M+NH4]+

476.42820

231.6

[M+K]+

497.35754

216.7

[M-H]-

457.38710

222.3

[M+Na-2H]-

479.36905

220.2

[M]+

458.39383

222.0

[M]-

458.39493

222.0

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

O-trimethylsilylcholesterol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe