CID 101995280

Coriandrone c

Structural Information

Molecular Formula
C13H10O5
SMILES
COC1=C2C(=CC3=C1C=CO3)C=C(OC2=O)CO
InChI
InChI=1S/C13H10O5/c1-16-12-9-2-3-17-10(9)5-7-4-8(6-14)18-13(15)11(7)12/h2-5,14H,6H2,1H3
InChIKey
KFOFBVHBCDBMPK-UHFFFAOYSA-N
Compound name
7-(hydroxymethyl)-4-methoxyfuro[2,3-g]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

246.05283 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.060106 147.0
[M+Na]+ 269.042048 159.8
[M-H]- 245.045554 154.3
[M+NH4]+ 264.086653 165.8
[M+K]+ 285.015988 158.9
[M+H-H2O]+ 229.050090 141.9
[M+HCOO]- 291.051031 169.9
[M+CH3COO]- 305.066681 162.2
[M+Na-2H]- 267.027496 156.2
[M]+ 246.05228142 155.7
[M]- 246.05337858 155.7
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

No patent data available for this compound.