CID 411840

2-aminopropanenitrile

Structural Information

Molecular Formula

C₃H₆N₂

SMILES

CC(C#N)N

InChI

InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3

InChIKey

UAMZETBJZRERCQ-UHFFFAOYSA-N

Compound name

2-aminopropanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 3388
Patents: 70.0531 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]+	71.060376	112.5
[M+Na]+	93.042318	121.5
[M-H]-	69.045824	113.3
[M+NH4]+	88.086923	134.1
[M+K]+	109.01626	122.0
[M+H-H2O]+	53.050360	101.8
[M+HCOO]-	115.05130	133.1
[M+CH3COO]-	129.06695	178.3
[M+Na-2H]-	91.027766	118.9
[M]+	70.052551	105.5
[M]-	70.053649	105.5

Literature stripe

literature stripe

Patent stripe

patents stripe