CID 347359

1,22-docosanediol

Structural Information

Molecular Formula

C₂₂H₄₆O₂

SMILES

C(CCCCCCCCCCCO)CCCCCCCCCCO

InChI

InChI=1S/C22H46O2/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24/h23-24H,1-22H2

InChIKey

HIBKFQRBONXURO-UHFFFAOYSA-N

Compound name

docosane-1,22-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 334
Patents: 342.3498 Da
Monoisotopic Mass: 9.0
XlogP (predicted)

Profile

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]+	343.357076	197.5
[M+Na]+	365.339018	197.1
[M-H]-	341.342524	191.7
[M+NH4]+	360.383623	209.7
[M+K]+	381.312958	191.8
[M+H-H2O]+	325.347060	190.1
[M+HCOO]-	387.348001	213.4
[M+CH3COO]-	401.363651	213.8
[M+Na-2H]-	363.324466	195.0
[M]+	342.34925142	203.9
[M]-	342.35034858	203.9

Literature stripe

literature stripe

Patent stripe

patents stripe