CID 88022

2-amino-2-methylpropanenitrile

Structural Information

Molecular Formula

C₄H₈N₂

SMILES

CC(C)(C#N)N

InChI

InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3

InChIKey

JQULXIOYDDCNGR-UHFFFAOYSA-N

Compound name

2-amino-2-methylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1000
Patents: 84.06875 Da
Monoisotopic Mass: -0.3
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	118.4
[M+Na]+	107.05797	127.6
[M-H]-	83.061474	119.3
[M+NH4]+	102.10257	139.6
[M+K]+	123.03191	127.9
[M+H-H2O]+	67.066010	108.1
[M+HCOO]-	129.06695	138.2
[M+CH3COO]-	143.08260	180.5
[M+Na-2H]-	105.04342	125.7
[M]+	84.068201	111.8
[M]-	84.069299	111.8

Literature stripe

literature stripe

Patent stripe

patents stripe