CID 64950

N-methylnicotinamide

Structural Information

Molecular Formula
C7H8N2O
SMILES
CNC(=O)C1=CN=CC=C1
InChI
InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
InChIKey
ZYVXHFWBYUDDBM-UHFFFAOYSA-N
Compound name
N-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

257
References

3522
Patents

136.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 125.7
[M+Na]+ 159.052878 133.3
[M-H]- 135.056384 128.2
[M+NH4]+ 154.097483 145.8
[M+K]+ 175.026818 132.1
[M+H-H2O]+ 119.060920 119.2
[M+HCOO]- 181.061861 150.2
[M+CH3COO]- 195.077511 174.0
[M+Na-2H]- 157.038326 134.3
[M]+ 136.06311142 124.7
[M]- 136.06420858 124.7
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