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

3
Annotation Hits: 1
References: 1600
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	153.0
[M+Na]+	225.18250	157.3
[M-H]-	201.18600	150.7
[M+NH4]+	220.22710	171.7
[M+K]+	241.15644	155.6
[M+H-H2O]+	185.19054	147.5
[M+HCOO]-	247.19148	173.8
[M+CH3COO]-	261.20713	186.6
[M+Na-2H]-	223.16795	156.4
[M]+	202.19273	157.6
[M]-	202.19383	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe