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]+ 146.071276 140.3
[M+Na]+ 168.053218 150.2
[M-H]- 144.056724 142.8
[M+NH4]+ 163.097823 153.5
[M+K]+ 184.027158 147.5
[M+H-H2O]+ 128.061260 124.9
[M+HCOO]- 190.062201 152.0
[M+CH3COO]- 204.077851 210.8
[M+Na-2H]- 166.038666 143.6
[M]+ 145.06345142 131.6
[M]- 145.06454858 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.