CID 199247

2-carbamoyl-1-methylpyridinium iodide

Structural Information

Molecular Formula
C7H9N2O
SMILES
C[N+]1=CC=CC=C1C(=O)N
InChI
InChI=1S/C7H8N2O/c1-9-5-3-2-4-6(9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
InChIKey
ZUSYYGDWLGXDSL-UHFFFAOYSA-O
Compound name
1-methylpyridin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

137.07149 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07877 125.8
[M+Na]+ 160.06071 134.2
[M-H]- 136.06421 128.5
[M+NH4]+ 155.10531 145.6
[M+K]+ 176.03465 127.2
[M+H-H2O]+ 120.06875 122.4
[M+HCOO]- 182.06969 149.4
[M+CH3COO]- 196.08534 168.1
[M+Na-2H]- 158.04616 134.8
[M]+ 137.07094 123.0
[M]- 137.07204 123.0
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