CID 131750935

Coriandrone e

Structural Information

Molecular Formula
C13H12O5
SMILES
CC1C(C2=CC3=C(C=CO3)C(=C2C(=O)O1)OC)O
InChI
InChI=1S/C13H12O5/c1-6-11(14)8-5-9-7(3-4-17-9)12(16-2)10(8)13(15)18-6/h3-6,11,14H,1-2H3
InChIKey
FDLXWTAXBWPMFB-UHFFFAOYSA-N
Compound name
8-hydroxy-4-methoxy-7-methyl-7,8-dihydrofuro[2,3-g]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

248.06847 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07575 149.4
[M+Na]+ 271.05769 163.4
[M+NH4]+ 266.10229 157.6
[M+K]+ 287.03163 160.3
[M-H]- 247.06119 153.7
[M+Na-2H]- 269.04314 152.2
[M]+ 248.06792 152.6
[M]- 248.06902 152.6
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.