CID 11275086

65346-04-5

Structural Information

Molecular Formula
C7H5N3O
SMILES
C1=CC(=NC=C1C#N)C(=O)N
InChI
InChI=1S/C7H5N3O/c8-3-5-1-2-6(7(9)11)10-4-5/h1-2,4H,(H2,9,11)
InChIKey
KWIPIEOKQCFDRY-UHFFFAOYSA-N
Compound name
5-cyanopyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

147.04326 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05054 130.7
[M+Na]+ 170.03248 140.5
[M-H]- 146.03598 132.2
[M+NH4]+ 165.07708 147.8
[M+K]+ 186.00642 138.3
[M+H-H2O]+ 130.04052 117.5
[M+HCOO]- 192.04146 150.5
[M+CH3COO]- 206.05711 189.2
[M+Na-2H]- 168.01793 136.5
[M]+ 147.04271 123.9
[M]- 147.04381 123.9
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