CID 119586

Coriandrin

Structural Information

Molecular Formula
C13H10O4
SMILES
CC1=CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC
InChI
InChI=1S/C13H10O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-6H,1-2H3
InChIKey
BUZQIMYNOWPYHH-UHFFFAOYSA-N
Compound name
4-methoxy-7-methylfuro[2,3-g]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

46
Patents

230.0579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.065176 143.7
[M+Na]+ 253.047118 157.2
[M-H]- 229.050624 152.4
[M+NH4]+ 248.091723 164.0
[M+K]+ 269.021058 156.5
[M+H-H2O]+ 213.055160 138.7
[M+HCOO]- 275.056101 168.0
[M+CH3COO]- 289.071751 159.8
[M+Na-2H]- 251.032566 153.2
[M]+ 230.05735142 152.7
[M]- 230.05844858 152.7
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

patents stripe