PubChemLite - Retinol (C20H30O)

Structural Information

Molecular Formula

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C

InChI

InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

InChIKey

FPIPGXGPPPQFEQ-OVSJKPMPSA-N

Compound name

(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-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]+	287.23696	173.2
[M+Na]+	309.21890	177.3
[M-H]-	285.22240	174.1
[M+NH4]+	304.26350	190.7
[M+K]+	325.19284	171.7
[M+H-H2O]+	269.22694	168.1
[M+HCOO]-	331.22788	188.8
[M+CH3COO]-	345.24353	202.1
[M+Na-2H]-	307.20435	170.7
[M]+	286.22913	170.5
[M]-	286.23023	170.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

287.23696

173.2

[M+Na]+

309.21890

177.3

[M-H]-

285.22240

174.1

[M+NH4]+

304.26350

190.7

[M+K]+

325.19284

171.7

[M+H-H2O]+

269.22694

168.1

[M+HCOO]-

331.22788

188.8

[M+CH3COO]-

345.24353

202.1

[M+Na-2H]-

307.20435

170.7

[M]+

286.22913

170.5

[M]-

286.23023

170.5

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

Retinol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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