CID 16492

2136-71-2

Structural Information

Molecular Formula

C₁₈H₃₈O₂

SMILES

CCCCCCCCCCCCCCCCOCCO

InChI

InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h19H,2-18H2,1H3

InChIKey

FSAMVJAGJWGWTQ-UHFFFAOYSA-N

Compound name

2-hexadecoxyethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 4045
Patents: 286.28717 Da
Monoisotopic Mass: 7.3
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]+	287.294446	179.9
[M+Na]+	309.276388	181.7
[M-H]-	285.279894	176.5
[M+NH4]+	304.320993	195.2
[M+K]+	325.250328	178.3
[M+H-H2O]+	269.284430	173.2
[M+HCOO]-	331.285371	198.7
[M+CH3COO]-	345.301021	204.6
[M+Na-2H]-	307.261836	180.1
[M]+	286.28662142	186.8
[M]-	286.28771858	186.8

Literature stripe

literature stripe

Patent stripe

patents stripe