CID 68079

Isopimpinellin

Structural Information

Molecular Formula
C13H10O5
SMILES
COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC
InChI
InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
InChIKey
DFMAXQKDIGCMTL-UHFFFAOYSA-N
Compound name
4,9-dimethoxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

105
References

1064
Patents

246.05283 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.060106 146.5
[M+Na]+ 269.042048 159.8
[M-H]- 245.045554 155.2
[M+NH4]+ 264.086653 166.0
[M+K]+ 285.015988 159.7
[M+H-H2O]+ 229.050090 141.3
[M+HCOO]- 291.051031 171.0
[M+CH3COO]- 305.066681 192.9
[M+Na-2H]- 267.027496 156.1
[M]+ 246.05228142 157.0
[M]- 246.05337858 157.0
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