CID 89314

1,2-octadecanediol

Structural Information

Molecular Formula

C₁₈H₃₈O₂

SMILES

CCCCCCCCCCCCCCCCC(CO)O

InChI

InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h18-20H,2-17H2,1H3

InChIKey

XWAMHGPDZOVVND-UHFFFAOYSA-N

Compound name

octadecane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1703
Patents: 286.28717 Da
Monoisotopic Mass: 7.2
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]+	287.29445	178.3
[M+Na]+	309.27639	185.0
[M+NH4]+	304.32099	183.6
[M+K]+	325.25033	177.6
[M-H]-	285.27989	176.1
[M+Na-2H]-	307.26184	177.8
[M]+	286.28662	178.2
[M]-	286.28772	178.2

Literature stripe

literature stripe

Patent stripe

patents stripe