CID 15185418

6-(methylcarbamoyl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H8N2O3
SMILES
CNC(=O)C1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C8H8N2O3/c1-9-7(11)6-3-2-5(4-10-6)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13)
InChIKey
BQQJATHOMQIZIW-UHFFFAOYSA-N
Compound name
6-(methylcarbamoyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

180.0535 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 136.6
[M+Na]+ 203.04272 147.1
[M+NH4]+ 198.08732 142.7
[M+K]+ 219.01666 143.4
[M-H]- 179.04622 136.5
[M+Na-2H]- 201.02817 141.6
[M]+ 180.05295 137.6
[M]- 180.05405 137.6
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