CID 12438036

3-amino-2,2-dimethylpropanenitrile

Structural Information

Molecular Formula

C₅H₁₀N₂

SMILES

CC(C)(CN)C#N

InChI

InChI=1S/C5H10N2/c1-5(2,3-6)4-7/h3,6H2,1-2H3

InChIKey

VFJGAQNGDVAFIC-UHFFFAOYSA-N

Compound name

3-amino-2,2-dimethylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 249
Patents: 98.0844 Da
Monoisotopic Mass: -0.1
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	122.3
[M+Na]+	121.07362	131.5
[M+NH4]+	116.11822	127.0
[M+K]+	137.04756	124.0
[M-H]-	97.077124	115.1
[M+Na-2H]-	119.05907	124.3
[M]+	98.083851	120.6
[M]-	98.084949	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe