PubChemLite - 2-(trimethyl[?]yl)propan-2-ol (C20H32O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@@H]3C(=CC[C@]3(C[C@H]4[C@](O4)(CC[C@@H]1O2)C)C)C(C)(C)O

InChI

InChI=1S/C20H32O3/c1-17(2,21)13-6-9-18(3)12-16-20(5,23-16)11-8-15-19(4,22-15)10-7-14(13)18/h6,14-16,21H,7-12H2,1-5H3/t14-,15+,16+,18+,19+,20-/m1/s1

InChIKey

AOIMAYBIPUIYPH-XSBFNCLBSA-N

Compound name

2-[(1S,3S,5R,8S,10S,13S)-1,5,10-trimethyl-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadec-14-en-14-yl]propan-2-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]+	321.24242	173.3
[M+Na]+	343.22436	179.9
[M-H]-	319.22786	177.2
[M+NH4]+	338.26896	181.3
[M+K]+	359.19830	184.5
[M+H-H2O]+	303.23240	175.4
[M+HCOO]-	365.23334	178.4
[M+CH3COO]-	379.24899	180.9
[M+Na-2H]-	341.20981	177.3
[M]+	320.23459	177.9
[M]-	320.23569	177.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

321.24242

173.3

[M+Na]+

343.22436

179.9

[M-H]-

319.22786

177.2

[M+NH4]+

338.26896

181.3

[M+K]+

359.19830

184.5

[M+H-H2O]+

303.23240

175.4

[M+HCOO]-

365.23334

178.4

[M+CH3COO]-

379.24899

180.9

[M+Na-2H]-

341.20981

177.3

[M]+

320.23459

177.9

[M]-

320.23569

177.9

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

2-(trimethyl[?]yl)propan-2-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe