PubChemLite - 155060-48-3 (C30H50O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H50O3/c1-19(8-11-24(32)26(4,5)33)20-12-14-28(7)22-10-9-21-25(2,3)23(31)13-15-29(21)18-30(22,29)17-16-27(20,28)6/h19-22,24,32-33H,8-18H2,1-7H3

InChIKey

JCGYBQRUVSZLCH-UHFFFAOYSA-N

Compound name

15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[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]+	459.38328	208.5
[M+Na]+	481.36522	215.6
[M+NH4]+	476.40982	223.0
[M+K]+	497.33916	204.9
[M-H]-	457.36872	216.9
[M+Na-2H]-	479.35067	214.8
[M]+	458.37545	213.9
[M]-	458.37655	213.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.38328

208.5

[M+Na]+

481.36522

215.6

[M+NH4]+

476.40982

223.0

[M+K]+

497.33916

204.9

[M-H]-

457.36872

216.9

[M+Na-2H]-

479.35067

214.8

[M]+

458.37545

213.9

[M]-

458.37655

213.9

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

155060-48-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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