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

3
Annotation Hits: 2
References: 3096
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]+	287.29445	179.9
[M+Na]+	309.27639	181.7
[M-H]-	285.27989	176.5
[M+NH4]+	304.32099	195.2
[M+K]+	325.25033	178.3
[M+H-H2O]+	269.28443	173.2
[M+HCOO]-	331.28537	198.7
[M+CH3COO]-	345.30102	204.6
[M+Na-2H]-	307.26184	180.1
[M]+	286.28662	186.8
[M]-	286.28772	186.8

Literature stripe

literature stripe

Patent stripe

patents stripe