CID 8221

Stearyl alcohol

Structural Information

Molecular Formula

C₁₈H₃₈O

SMILES

CCCCCCCCCCCCCCCCCCO

InChI

InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3

InChIKey

GLDOVTGHNKAZLK-UHFFFAOYSA-N

Compound name

octadecan-1-ol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 195
References: 50150
Patents: 270.29227 Da
Monoisotopic Mass: 8.4
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]+	271.29955	177.0
[M+Na]+	293.28149	178.8
[M-H]-	269.28499	173.6
[M+NH4]+	288.32609	193.0
[M+K]+	309.25543	175.0
[M+H-H2O]+	253.28953	170.5
[M+HCOO]-	315.29047	195.6
[M+CH3COO]-	329.30612	202.8
[M+Na-2H]-	291.26694	177.1
[M]+	270.29172	182.4
[M]-	270.29282	182.4

Literature stripe

literature stripe

Patent stripe

patents stripe