CID 74211

Pyridine-3,4-dicarbonitrile

Structural Information

Molecular Formula
C7H3N3
SMILES
C1=CN=CC(=C1C#N)C#N
InChI
InChI=1S/C7H3N3/c8-3-6-1-2-10-5-7(6)4-9/h1-2,5H
InChIKey
ALJUMASAQKRVRM-UHFFFAOYSA-N
Compound name
pyridine-3,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

279
Patents

129.0327 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.03998 138.4
[M+Na]+ 152.02192 148.7
[M-H]- 128.02542 140.7
[M+NH4]+ 147.06652 151.8
[M+K]+ 167.99586 145.9
[M+H-H2O]+ 112.02996 122.8
[M+HCOO]- 174.03090 151.1
[M+CH3COO]- 188.04655 208.0
[M+Na-2H]- 150.00737 142.9
[M]+ 129.03215 130.0
[M]- 129.03325 130.0
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