CID 2726657

5-carbamoylpyridine-2-carboxylic acid

Structural Information

Molecular Formula
C7H6N2O3
SMILES
C1=CC(=NC=C1C(=O)N)C(=O)O
InChI
InChI=1S/C7H6N2O3/c8-6(10)4-1-2-5(7(11)12)9-3-4/h1-3H,(H2,8,10)(H,11,12)
InChIKey
KGBSMDOELQXOBN-UHFFFAOYSA-N
Compound name
5-carbamoylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

166.03784 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04512 131.3
[M+Na]+ 189.02706 139.1
[M-H]- 165.03056 132.3
[M+NH4]+ 184.07166 149.0
[M+K]+ 205.00100 137.6
[M+H-H2O]+ 149.03510 124.9
[M+HCOO]- 211.03604 153.2
[M+CH3COO]- 225.05169 176.9
[M+Na-2H]- 187.01251 136.2
[M]+ 166.03729 129.3
[M]- 166.03839 129.3
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