CID 62806

2-(decyloxy)ethanol

Structural Information

Molecular Formula

C₁₂H₂₆O₂

SMILES

CCCCCCCCCCOCCO

InChI

InChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h13H,2-12H2,1H3

InChIKey

CBVDPTYIDMQDEO-UHFFFAOYSA-N

Compound name

2-decoxyethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1156
Patents: 202.19328 Da
Monoisotopic Mass: 4.0
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]+	203.20056	151.0
[M+Na]+	225.18250	159.9
[M+NH4]+	220.22710	157.9
[M+K]+	241.15644	152.8
[M-H]-	201.18600	149.9
[M+Na-2H]-	223.16795	153.1
[M]+	202.19273	151.7
[M]-	202.19383	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe