CID 69039

3-hydroxyphthalic acid

Structural Information

Molecular Formula
C8H6O5
SMILES
C1=CC(=C(C(=C1)O)C(=O)O)C(=O)O
InChI
InChI=1S/C8H6O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKey
MNUOZFHYBCRUOD-UHFFFAOYSA-N
Compound name
3-hydroxyphthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3567
Patents

182.02153 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02881 134.7
[M+Na]+ 205.01075 145.0
[M+NH4]+ 200.05535 140.3
[M+K]+ 220.98469 142.7
[M-H]- 181.01425 133.2
[M+Na-2H]- 202.99620 138.2
[M]+ 182.02098 135.3
[M]- 182.02208 135.3
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

No patent data available for this compound.