CID 19966498

160601-84-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

166.03784 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.045116 131.3
[M+Na]+ 189.027058 139.1
[M-H]- 165.030564 132.3
[M+NH4]+ 184.071663 149.0
[M+K]+ 205.000998 137.6
[M+H-H2O]+ 149.035100 124.9
[M+HCOO]- 211.036041 153.2
[M+CH3COO]- 225.051691 176.9
[M+Na-2H]- 187.012506 136.2
[M]+ 166.03729142 129.3
[M]- 166.03838858 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