CID 936

Nicotinamide

Structural Information

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

2D Structure

compound 2d structure
10
Annotation Hits

17180
References

96331
Patents

122.04801 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.055286 121.4
[M+Na]+ 145.037228 129.3
[M-H]- 121.040734 123.5
[M+NH4]+ 140.081833 141.7
[M+K]+ 161.011168 128.0
[M+H-H2O]+ 105.045270 115.1
[M+HCOO]- 167.046211 145.5
[M+CH3COO]- 181.061861 170.9
[M+Na-2H]- 143.022676 129.4
[M]+ 122.04746142 119.1
[M]- 122.04855858 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

literature stripe

Patent stripe

patents stripe