CID 81229

6752-33-6

Structural Information

Molecular Formula

C₁₀H₂₃NO₂

SMILES

CCCCCCN(CCO)CCO

InChI

InChI=1S/C10H23NO2/c1-2-3-4-5-6-11(7-9-12)8-10-13/h12-13H,2-10H2,1H3

InChIKey

GIACMWUKBLHAAG-UHFFFAOYSA-N

Compound name

2-[hexyl(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 959
Patents: 189.17288 Da
Monoisotopic Mass: 1.2
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]+	190.18016	148.4
[M+Na]+	212.16210	152.4
[M-H]-	188.16560	146.5
[M+NH4]+	207.20670	167.2
[M+K]+	228.13604	151.5
[M+H-H2O]+	172.17014	142.7
[M+HCOO]-	234.17108	169.9
[M+CH3COO]-	248.18673	186.2
[M+Na-2H]-	210.14755	151.7
[M]+	189.17233	150.7
[M]-	189.17343	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe