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 148.8
[M+Na]+ 271.05769 160.5
[M-H]- 247.06119 155.7
[M+NH4]+ 266.10229 167.7
[M+K]+ 287.03163 159.8
[M+H-H2O]+ 231.06573 144.2
[M+HCOO]- 293.06667 168.8
[M+CH3COO]- 307.08232 192.4
[M+Na-2H]- 269.04314 155.6
[M]+ 248.06792 155.1
[M]- 248.06902 155.1
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.