CID 12214443

2-(1,2-dihydropyridin-2-ylidene)propanedinitrile

Structural Information

Molecular Formula
C8H5N3
SMILES
C1=CC(=C(C#N)C#N)NC=C1
InChI
InChI=1S/C8H5N3/c9-5-7(6-10)8-3-1-2-4-11-8/h1-4,11H
InChIKey
WYYSZKPMAWHXPG-UHFFFAOYSA-N
Compound name
2-(1H-pyridin-2-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

143.04834 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05562 146.1
[M+Na]+ 166.03756 154.7
[M-H]- 142.04106 147.2
[M+NH4]+ 161.08216 158.4
[M+K]+ 182.01150 150.9
[M+H-H2O]+ 126.04560 130.5
[M+HCOO]- 188.04654 156.1
[M+CH3COO]- 202.06219 207.2
[M+Na-2H]- 164.02301 148.6
[M]+ 143.04779 134.6
[M]- 143.04889 134.6
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