PubChemLite - Fusicocca-1,10(14)-diene-3,8beta,16-triol (C20H32O3)

Structural Information

Molecular Formula

SMILES

C[C@@H]1[C@@H]\2CCC(/C2=C/[C@]3(CCC(=C3CC1O)C(C)C)C)(CO)O

InChI

InChI=1S/C20H32O3/c1-12(2)14-5-7-19(4)10-17-15(6-8-20(17,23)11-21)13(3)18(22)9-16(14)19/h10,12-13,15,18,21-23H,5-9,11H2,1-4H3/b17-10+/t13-,15+,18?,19-,20?/m1/s1

InChIKey

QKFLTDNSUPOLAW-OFCQYXFWSA-N

Compound name

(1R,2E,7S,8R)-4-(hydroxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-2,11-diene-4,9-diol

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]+	321.24242	195.0
[M+Na]+	343.22436	196.9
[M+NH4]+	338.26896	197.7
[M+K]+	359.19830	194.2
[M-H]-	319.22786	194.7
[M+Na-2H]-	341.20981	193.7
[M]+	320.23459	195.1
[M]-	320.23569	195.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

321.24242

195.0

[M+Na]+

343.22436

196.9

[M+NH4]+

338.26896

197.7

[M+K]+

359.19830

194.2

[M-H]-

319.22786

194.7

[M+Na-2H]-

341.20981

193.7

[M]+

320.23459

195.1

[M]-

320.23569

195.1

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

Fusicocca-1,10(14)-diene-3,8beta,16-triol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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