CID 23905

7424-56-8

Structural Information

Molecular Formula
C9H5N3
SMILES
C1=CC(=CN=C1)C=C(C#N)C#N
InChI
InChI=1S/C9H5N3/c10-5-9(6-11)4-8-2-1-3-12-7-8/h1-4,7H
InChIKey
JMPHHFYSCUHMAL-UHFFFAOYSA-N
Compound name
2-(pyridin-3-ylmethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4
Patents

155.04834 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05562 147.3
[M+Na]+ 178.03756 156.6
[M-H]- 154.04106 149.2
[M+NH4]+ 173.08216 159.7
[M+K]+ 194.01150 153.0
[M+H-H2O]+ 138.04560 131.3
[M+HCOO]- 200.04654 159.0
[M+CH3COO]- 214.06219 210.6
[M+Na-2H]- 176.02301 150.5
[M]+ 155.04779 138.1
[M]- 155.04889 138.1
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