CID 85512

2-(dodecylamino)ethanol

Structural Information

Molecular Formula

C₁₄H₃₁NO

SMILES

CCCCCCCCCCCCNCCO

InChI

InChI=1S/C14H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16/h15-16H,2-14H2,1H3

InChIKey

HCYSJBICYOIBLS-UHFFFAOYSA-N

Compound name

2-(dodecylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1430
Patents: 229.24057 Da
Monoisotopic Mass: 4.7
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]+	230.247846	162.5
[M+Na]+	252.229788	165.0
[M-H]-	228.233294	159.7
[M+NH4]+	247.274393	179.7
[M+K]+	268.203728	162.2
[M+H-H2O]+	212.237830	156.2
[M+HCOO]-	274.238771	183.4
[M+CH3COO]-	288.254421	195.6
[M+Na-2H]-	250.215236	165.0
[M]+	229.24002142	165.5
[M]-	229.24111858	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe