CID 78947

3-amino-2-methylpropanenitrile

Structural Information

Molecular Formula

C₄H₈N₂

SMILES

CC(CN)C#N

InChI

InChI=1S/C4H8N2/c1-4(2-5)3-6/h4H,2,5H2,1H3

InChIKey

GDIMNXJSMJSDSB-UHFFFAOYSA-N

Compound name

3-amino-2-methylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 97
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	118.1
[M+Na]+	107.05797	127.5
[M+NH4]+	102.10257	123.1
[M+K]+	123.03191	119.8
[M-H]-	83.061474	111.4
[M+Na-2H]-	105.04342	120.2
[M]+	84.068201	116.5
[M]-	84.069299	116.5

Literature stripe

literature stripe

Patent stripe

patents stripe