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]+ 193.04953 136.4
[M+Na]+ 215.03147 145.6
[M-H]- 191.03497 139.1
[M+NH4]+ 210.07607 157.7
[M+K]+ 231.00541 142.7
[M+H-H2O]+ 175.03951 132.2
[M+HCOO]- 237.04045 157.0
[M+CH3COO]- 251.05610 177.9
[M+Na-2H]- 213.01692 139.9
[M]+ 192.04170 136.0
[M]- 192.04280 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.