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

40
Patents

164.04735 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05463 130.8
[M+Na]+ 187.03657 142.5
[M+NH4]+ 182.08117 139.3
[M+K]+ 203.01051 139.1
[M-H]- 163.04007 131.6
[M+Na-2H]- 185.02202 134.9
[M]+ 164.04680 132.5
[M]- 164.04790 132.5
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