CID 5453495

197965-28-9

Structural Information

Molecular Formula
C13H12O4
SMILES
C1CCC2=C(C1)C3=CC(=C(C=C3OC2=O)O)O
InChI
InChI=1S/C13H12O4/c14-10-5-9-7-3-1-2-4-8(7)13(16)17-12(9)6-11(10)15/h5-6,14-15H,1-4H2
InChIKey
BYWQENRDUAFAAH-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

232.07356 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.080836 145.2
[M+Na]+ 255.062778 154.7
[M-H]- 231.066284 149.3
[M+NH4]+ 250.107383 163.1
[M+K]+ 271.036718 151.8
[M+H-H2O]+ 215.070820 139.4
[M+HCOO]- 277.071761 162.3
[M+CH3COO]- 291.087411 157.9
[M+Na-2H]- 253.048226 153.1
[M]+ 232.07301142 145.0
[M]- 232.07410858 145.0
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