CID 69656

3-(methylamino)propanenitrile

Structural Information

Molecular Formula

C₄H₈N₂

SMILES

CNCCC#N

InChI

InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3

InChIKey

UNIJBMUBHBAUET-UHFFFAOYSA-N

Compound name

3-(methylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1568
Patents: 84.06875 Da
Monoisotopic Mass: -0.5
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]+	85.076026	117.7
[M+Na]+	107.05797	127.6
[M+NH4]+	102.10257	122.9
[M+K]+	123.03191	119.0
[M-H]-	83.061474	111.3
[M+Na-2H]-	105.04342	120.5
[M]+	84.068201	116.2
[M]-	84.069299	116.2

Literature stripe

literature stripe

Patent stripe

patents stripe