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]+ 249.075746 148.8
[M+Na]+ 271.057688 160.5
[M-H]- 247.061194 155.7
[M+NH4]+ 266.102293 167.7
[M+K]+ 287.031628 159.8
[M+H-H2O]+ 231.065730 144.2
[M+HCOO]- 293.066671 168.8
[M+CH3COO]- 307.082321 192.4
[M+Na-2H]- 269.043136 155.6
[M]+ 248.06792142 155.1
[M]- 248.06901858 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.