CID 271312

4554-99-8

Structural Information

Molecular Formula
C12H8O5
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC(=O)O)O
InChI
InChI=1S/C12H8O5/c13-9(14)5-8-10(15)6-3-1-2-4-7(6)11(16)12(8)17/h1-4,15H,5H2,(H,13,14)
InChIKey
GZXAJZYOXMILHM-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-3,4-dioxonaphthalen-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

232.03717 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04445 146.5
[M+Na]+ 255.02639 158.7
[M+NH4]+ 250.07099 152.9
[M+K]+ 271.00033 154.2
[M-H]- 231.02989 146.5
[M+Na-2H]- 253.01184 150.1
[M]+ 232.03662 147.9
[M]- 232.03772 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.