CID 5322315

3722-44-9

Structural Information

Molecular Formula
C13H12O3
SMILES
C1CCC2=C(C1)C3=C(C=C(C=C3)O)OC2=O
InChI
InChI=1S/C13H12O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h5-7,14H,1-4H2
InChIKey
OCRPPMHVRQIWOS-UHFFFAOYSA-N
Compound name
3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

29
Patents

216.07864 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 143.1
[M+Na]+ 239.06786 158.1
[M+NH4]+ 234.11246 152.9
[M+K]+ 255.04180 151.0
[M-H]- 215.07136 147.8
[M+Na-2H]- 237.05331 149.0
[M]+ 216.07809 146.7
[M]- 216.07919 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe