CID 457

1-methylnicotinamide

Structural Information

Molecular Formula
C7H9N2O
SMILES
C[N+]1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
InChIKey
LDHMAVIPBRSVRG-UHFFFAOYSA-O
Compound name
1-methylpyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

295
References

850
Patents

137.07149 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07877 123.9
[M+Na]+ 160.06071 138.2
[M+NH4]+ 155.10531 133.2
[M+K]+ 176.03465 133.5
[M-H]- 136.06421 127.5
[M+Na-2H]- 158.04616 132.0
[M]+ 137.07094 127.1
[M]- 137.07204 127.1
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