CID 93083

2-(methylamino)propanenitrile

Structural Information

Molecular Formula

C₄H₈N₂

SMILES

CC(C#N)NC

InChI

InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3

InChIKey

MTKGPLGETVCLCF-UHFFFAOYSA-N

Compound name

2-(methylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 236
Patents: 84.06875 Da
Monoisotopic Mass: 0.0
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	115.7
[M+Na]+	107.05797	124.4
[M-H]-	83.061474	116.9
[M+NH4]+	102.10257	137.1
[M+K]+	123.03191	124.9
[M+H-H2O]+	67.066010	104.9
[M+HCOO]-	129.06695	136.6
[M+CH3COO]-	143.08260	181.7
[M+Na-2H]-	105.04342	122.6
[M]+	84.068201	110.0
[M]-	84.069299	110.0

Literature stripe

literature stripe

Patent stripe

patents stripe