CID 15074

Isonicotinamide

Structural Information

Molecular Formula
C6H6N2O
SMILES
C1=CN=CC=C1C(=O)N
InChI
InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
InChIKey
VFQXVTODMYMSMJ-UHFFFAOYSA-N
Compound name
pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

240
References

14616
Patents

122.04801 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 121.4
[M+Na]+ 145.03723 129.3
[M-H]- 121.04073 123.5
[M+NH4]+ 140.08183 141.7
[M+K]+ 161.01117 128.0
[M+H-H2O]+ 105.04527 115.1
[M+HCOO]- 167.04621 145.5
[M+CH3COO]- 181.06186 170.9
[M+Na-2H]- 143.02268 129.4
[M]+ 122.04746 119.1
[M]- 122.04856 119.1
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.