CID 131752178

Methyl 3-(3,4-dihydroxyphenyl)-2,7-dihydroxy-1-oxo-8bh-cyclopenta[b][1]benzofuran-3a-carboxylate

Structural Information

Molecular Formula
C19H14O8
SMILES
COC(=O)C12C(C3=C(O1)C=CC(=C3)O)C(=O)C(=C2C4=CC(=C(C=C4)O)O)O
InChI
InChI=1S/C19H14O8/c1-26-18(25)19-14(8-2-4-11(21)12(22)6-8)16(23)17(24)15(19)10-7-9(20)3-5-13(10)27-19/h2-7,15,20-23H,1H3
InChIKey
MWJUVQKVZFIANK-UHFFFAOYSA-N
Compound name
methyl 3-(3,4-dihydroxyphenyl)-2,7-dihydroxy-1-oxo-8bH-cyclopenta[b][1]benzofuran-3a-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

370.06888 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07616 178.9
[M+Na]+ 393.05810 189.1
[M-H]- 369.06160 185.1
[M+NH4]+ 388.10270 195.1
[M+K]+ 409.03204 186.5
[M+H-H2O]+ 353.06614 175.3
[M+HCOO]- 415.06708 194.7
[M+CH3COO]- 429.08273 208.9
[M+Na-2H]- 391.04355 180.1
[M]+ 370.06833 183.9
[M]- 370.06943 183.9
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.