CID 84259

2-(undecylamino)ethanol

Structural Information

Molecular Formula

C₁₃H₂₉NO

SMILES

CCCCCCCCCCCNCCO

InChI

InChI=1S/C13H29NO/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-15/h14-15H,2-13H2,1H3

InChIKey

BZMGMGOJSGJEAY-UHFFFAOYSA-N

Compound name

2-(undecylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 215.22491 Da
Monoisotopic Mass: 4.2
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]+	216.232186	158.1
[M+Na]+	238.214128	161.0
[M-H]-	214.217634	155.5
[M+NH4]+	233.258733	175.9
[M+K]+	254.188068	158.5
[M+H-H2O]+	198.222170	151.9
[M+HCOO]-	260.223111	179.3
[M+CH3COO]-	274.238761	192.5
[M+Na-2H]-	236.199576	161.1
[M]+	215.22436142	160.7
[M]-	215.22545858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe