CID 14492651

4,5-dihydroxy-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C9H8O3
SMILES
C1CC(=O)C2=C1C(=C(C=C2)O)O
InChI
InChI=1S/C9H8O3/c10-7-3-2-6-5(7)1-4-8(11)9(6)12/h1,4,11-12H,2-3H2
InChIKey
VZODOCRNFNMTMB-UHFFFAOYSA-N
Compound name
4,5-dihydroxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

164.04735 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.054626 129.8
[M+Na]+ 187.036568 139.7
[M-H]- 163.040074 132.6
[M+NH4]+ 182.081173 152.6
[M+K]+ 203.010508 136.5
[M+H-H2O]+ 147.044610 125.8
[M+HCOO]- 209.045551 151.5
[M+CH3COO]- 223.061201 172.6
[M+Na-2H]- 185.022016 135.0
[M]+ 164.04680142 129.0
[M]- 164.04789858 129.0
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

patents stripe