CID 99815

29427-69-8

Structural Information

Molecular Formula
C10H8O3
SMILES
C1C(C2=CC=CC=C2C1=O)C(=O)O
InChI
InChI=1S/C10H8O3/c11-9-5-8(10(12)13)6-3-1-2-4-7(6)9/h1-4,8H,5H2,(H,12,13)
InChIKey
HXLJFMRZKCSTQD-UHFFFAOYSA-N
Compound name
3-oxo-1,2-dihydroindene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

269
Patents

176.04735 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.054626 133.6
[M+Na]+ 199.036568 142.5
[M-H]- 175.040074 137.3
[M+NH4]+ 194.081173 156.1
[M+K]+ 215.010508 139.9
[M+H-H2O]+ 159.044610 129.0
[M+HCOO]- 221.045551 155.6
[M+CH3COO]- 235.061201 177.0
[M+Na-2H]- 197.022016 138.1
[M]+ 176.04680142 133.2
[M]- 176.04789858 133.2
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

patents stripe