CID 54686502

86026-89-3

Structural Information

Molecular Formula
C15H12O8
SMILES
CC(C(=O)O)OC1=C2C(=CC(=O)OC2=C(C3=C1C=CO3)OC)O
InChI
InChI=1S/C15H12O8/c1-6(15(18)19)22-11-7-3-4-21-12(7)14(20-2)13-10(11)8(16)5-9(17)23-13/h3-6,16H,1-2H3,(H,18,19)
InChIKey
ZDOPRYWKVWAMQZ-UHFFFAOYSA-N
Compound name
2-(5-hydroxy-9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.05322 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06050 164.2
[M+Na]+ 343.04244 175.1
[M-H]- 319.04594 170.2
[M+NH4]+ 338.08704 178.7
[M+K]+ 359.01638 175.8
[M+H-H2O]+ 303.05048 158.8
[M+HCOO]- 365.05142 183.3
[M+CH3COO]- 379.06707 203.9
[M+Na-2H]- 341.02789 169.4
[M]+ 320.05267 174.5
[M]- 320.05377 174.5
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.