CID 209197

19424-20-5

Structural Information

Molecular Formula
C8H7N3
SMILES
CN1C=CC(C(=C1)C#N)C#N
InChI
InChI=1S/C8H7N3/c1-11-3-2-7(4-9)8(5-10)6-11/h2-3,6-7H,1H3
InChIKey
PBGZBLWWBARASA-UHFFFAOYSA-N
Compound name
1-methyl-4H-pyridine-3,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.064 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07128 140.3
[M+Na]+ 168.05322 150.2
[M-H]- 144.05672 142.8
[M+NH4]+ 163.09782 153.5
[M+K]+ 184.02716 147.5
[M+H-H2O]+ 128.06126 124.9
[M+HCOO]- 190.06220 152.0
[M+CH3COO]- 204.07785 210.8
[M+Na-2H]- 166.03867 143.6
[M]+ 145.06345 131.6
[M]- 145.06455 131.6
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

No patent data available for this compound.