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

80
Patents

133.064 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.071276 128.3
[M+Na]+ 156.053218 137.2
[M-H]- 132.056724 129.5
[M+NH4]+ 151.097823 145.9
[M+K]+ 172.027158 135.0
[M+H-H2O]+ 116.061260 115.1
[M+HCOO]- 178.062201 147.8
[M+CH3COO]- 192.077851 187.1
[M+Na-2H]- 154.038666 135.0
[M]+ 133.06345142 120.6
[M]- 133.06454858 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe