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: 2116
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	114.0
[M+Na]+	107.05797	122.9
[M-H]-	83.061474	115.1
[M+NH4]+	102.10257	135.4
[M+K]+	123.03191	123.1
[M+H-H2O]+	67.066010	103.2
[M+HCOO]-	129.06695	135.9
[M+CH3COO]-	143.08260	180.9
[M+Na-2H]-	105.04342	122.2
[M]+	84.068201	109.0
[M]-	84.069299	109.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.