CID 325987

77849-43-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

147.04326 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05054 130.3
[M+Na]+ 170.03248 139.4
[M-H]- 146.03598 132.0
[M+NH4]+ 165.07708 147.5
[M+K]+ 186.00642 137.4
[M+H-H2O]+ 130.04052 116.8
[M+HCOO]- 192.04146 150.7
[M+CH3COO]- 206.05711 188.1
[M+Na-2H]- 168.01793 137.8
[M]+ 147.04271 124.0
[M]- 147.04381 124.0
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

patents stripe