CID 46397581

2241139-75-1

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1=C(C=NC(=C1O)N)C(=O)O
InChI
InChI=1S/C6H6N2O3/c7-5-4(9)1-3(2-8-5)6(10)11/h1-2,9H,(H2,7,8)(H,10,11)
InChIKey
IMRUQBOWLPRJGN-UHFFFAOYSA-N
Compound name
6-amino-5-hydroxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.03784 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 128.3
[M+Na]+ 177.02706 137.0
[M-H]- 153.03056 128.3
[M+NH4]+ 172.07166 146.3
[M+K]+ 193.00100 134.9
[M+H-H2O]+ 137.03510 122.4
[M+HCOO]- 199.03604 149.8
[M+CH3COO]- 213.05169 172.6
[M+Na-2H]- 175.01251 133.7
[M]+ 154.03729 125.8
[M]- 154.03839 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

No patent data available for this compound.