CID 53426423

4-(aminomethyl)pyridine-2-carbonitrile dihydrochloride

Structural Information

Molecular Formula
C7H7N3
SMILES
C1=CN=C(C=C1CN)C#N
InChI
InChI=1S/C7H7N3/c8-4-6-1-2-10-7(3-6)5-9/h1-3H,4,8H2
InChIKey
PXHWVDOUOGBXHW-UHFFFAOYSA-N
Compound name
4-(aminomethyl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

133.064 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07128 129.8
[M+Na]+ 156.05322 141.8
[M+NH4]+ 151.09782 134.8
[M+K]+ 172.02716 132.5
[M-H]- 132.05672 124.8
[M+Na-2H]- 154.03867 134.5
[M]+ 133.06345 129.2
[M]- 133.06455 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe