CID 22591320

478169-54-9

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1=C(C(=CN=C1C(=O)O)O)N
InChI
InChI=1S/C6H6N2O3/c7-3-1-4(6(10)11)8-2-5(3)9/h1-2,9H,(H2,7,8)(H,10,11)
InChIKey
VLZOGNCCRDPCAK-UHFFFAOYSA-N
Compound name
4-amino-5-hydroxypyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

154.03784 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.045116 128.3
[M+Na]+ 177.027058 137.0
[M-H]- 153.030564 128.3
[M+NH4]+ 172.071663 146.3
[M+K]+ 193.000998 134.9
[M+H-H2O]+ 137.035100 122.4
[M+HCOO]- 199.036041 149.8
[M+CH3COO]- 213.051691 172.6
[M+Na-2H]- 175.012506 133.7
[M]+ 154.03729142 125.8
[M]- 154.03838858 125.8
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