CID 520529

1,18-octadecanediol

Structural Information

Molecular Formula

C₁₈H₃₈O₂

SMILES

C(CCCCCCCCCO)CCCCCCCCO

InChI

InChI=1S/C18H38O2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h19-20H,1-18H2

InChIKey

LUUFSCNUZAYHAT-UHFFFAOYSA-N

Compound name

octadecane-1,18-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 6582
Patents: 286.28717 Da
Monoisotopic Mass: 6.8
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	177.9
[M+Na]+	309.27639	184.9
[M+NH4]+	304.32099	183.4
[M+K]+	325.25033	176.8
[M-H]-	285.27989	175.9
[M+Na-2H]-	307.26184	177.7
[M]+	286.28662	178.0
[M]-	286.28772	178.0

Literature stripe

literature stripe

Patent stripe

patents stripe