CID 55297491

1273661-16-7

Structural Information

Molecular Formula
C10H8O4
SMILES
C1CC(=O)C2=C1C=C(C=C2O)C(=O)O
InChI
InChI=1S/C10H8O4/c11-7-2-1-5-3-6(10(13)14)4-8(12)9(5)7/h3-4,12H,1-2H2,(H,13,14)
InChIKey
BDKIYOUECWAUBW-UHFFFAOYSA-N
Compound name
7-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 136.4
[M+Na]+ 215.031468 145.6
[M-H]- 191.034974 139.1
[M+NH4]+ 210.076073 157.7
[M+K]+ 231.005408 142.7
[M+H-H2O]+ 175.039510 132.2
[M+HCOO]- 237.040451 157.0
[M+CH3COO]- 251.056101 177.9
[M+Na-2H]- 213.016916 139.9
[M]+ 192.04170142 136.0
[M]- 192.04279858 136.0
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.