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

41
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 129.8
[M+Na]+ 187.03657 139.7
[M-H]- 163.04007 132.6
[M+NH4]+ 182.08117 152.6
[M+K]+ 203.01051 136.5
[M+H-H2O]+ 147.04461 125.8
[M+HCOO]- 209.04555 151.5
[M+CH3COO]- 223.06120 172.6
[M+Na-2H]- 185.02202 135.0
[M]+ 164.04680 129.0
[M]- 164.04790 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