CID 5348600

50624-08-3

Structural Information

Molecular Formula
C12H10O4
SMILES
C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3O)O
InChI
InChI=1S/C12H10O4/c13-9-5-4-7-6-2-1-3-8(6)12(15)16-11(7)10(9)14/h4-5,13-14H,1-3H2
InChIKey
DFXAPFLDYOBSDI-UHFFFAOYSA-N
Compound name
6,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

218.0579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 141.0
[M+Na]+ 241.04712 151.9
[M-H]- 217.05062 145.7
[M+NH4]+ 236.09172 161.5
[M+K]+ 257.02106 148.9
[M+H-H2O]+ 201.05516 136.6
[M+HCOO]- 263.05610 160.7
[M+CH3COO]- 277.07175 155.0
[M+Na-2H]- 239.03257 147.8
[M]+ 218.05735 142.7
[M]- 218.05845 142.7
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.