CID 67638526

Ns00000870

Structural Information

Molecular Formula
C7H6N2O4
SMILES
C1=CC(=C(N=C1)NC(=O)O)C(=O)O
InChI
InChI=1S/C7H6N2O4/c10-6(11)4-2-1-3-8-5(4)9-7(12)13/h1-3H,(H,8,9)(H,10,11)(H,12,13)
InChIKey
CFPQFAFVFNGPHL-UHFFFAOYSA-N
Compound name
2-(carboxyamino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

182.03276 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.040036 134.2
[M+Na]+ 205.021978 141.5
[M-H]- 181.025484 134.3
[M+NH4]+ 200.066583 150.8
[M+K]+ 220.995918 140.1
[M+H-H2O]+ 165.030020 127.8
[M+HCOO]- 227.030961 155.5
[M+CH3COO]- 241.046611 176.6
[M+Na-2H]- 203.007426 139.7
[M]+ 182.03221142 132.7
[M]- 182.03330858 132.7
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