CID 20288957

Propanenitrile, 3-((2-hydroxypropyl)amino

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CC(CNCCC#N)O

InChI

InChI=1S/C6H12N2O/c1-6(9)5-8-4-2-3-7/h6,8-9H,2,4-5H2,1H3

InChIKey

FRPNNEBJBVHETK-UHFFFAOYSA-N

Compound name

3-(2-hydroxypropylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 128.09496 Da
Monoisotopic Mass: -0.8
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]+	129.10224	129.1
[M+Na]+	151.08418	137.5
[M+NH4]+	146.12878	133.1
[M+K]+	167.05812	129.9
[M-H]-	127.08768	121.5
[M+Na-2H]-	149.06963	130.1
[M]+	128.09441	127.0
[M]-	128.09551	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe