CID 258810

2-carbamoylpyridine-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

502
Patents

166.03784 Da
Monoisotopic Mass

0.0
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

literature stripe

Patent stripe

patents stripe