CID 15180125

2-amino-2-(pyridin-3-yl)acetonitrile dihydrochloride

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

C1=CC(=CN=C1)C(C#N)N

InChI

InChI=1S/C7H7N3/c8-4-7(9)6-2-1-3-10-5-6/h1-3,5,7H,9H2

InChIKey

SGCPBVKKDRXBIB-UHFFFAOYSA-N

Compound name

2-amino-2-pyridin-3-ylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 133.064 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]+	134.07128	131.0
[M+Na]+	156.05322	142.3
[M+NH4]+	151.09782	135.9
[M+K]+	172.02716	133.5
[M-H]-	132.05672	125.8
[M+Na-2H]-	154.03867	135.5
[M]+	133.06345	130.1
[M]-	133.06455	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe