CID 10419137

2-amino-3-methylbutanenitrile

Structural Information

Molecular Formula

C₅H₁₀N₂

SMILES

CC(C)C(C#N)N

InChI

InChI=1S/C5H10N2/c1-4(2)5(7)3-6/h4-5H,7H2,1-2H3

InChIKey

ZMMPZEFSSVTIIW-UHFFFAOYSA-N

Compound name

2-amino-3-methylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 98.0844 Da
Monoisotopic Mass: 0.4
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]+	99.091676	122.4
[M+Na]+	121.07362	131.4
[M+NH4]+	116.11822	127.2
[M+K]+	137.04756	124.1
[M-H]-	97.077124	115.5
[M+Na-2H]-	119.05907	123.9
[M]+	98.083851	120.6
[M]-	98.084949	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe