CID 131750880

3'-methoxyfukiic acid

Structural Information

Molecular Formula
C12H14O8
SMILES
COC1=C(C=CC(=C1)CC(C(C(=O)O)O)(C(=O)O)O)O
InChI
InChI=1S/C12H14O8/c1-20-8-4-6(2-3-7(8)13)5-12(19,11(17)18)9(14)10(15)16/h2-4,9,13-14,19H,5H2,1H3,(H,15,16)(H,17,18)
InChIKey
DDSGTDZCSPMYIM-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.06888 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07616 158.2
[M+Na]+ 309.05810 163.0
[M-H]- 285.06160 155.1
[M+NH4]+ 304.10270 169.8
[M+K]+ 325.03204 162.2
[M+H-H2O]+ 269.06614 152.8
[M+HCOO]- 331.06708 171.5
[M+CH3COO]- 345.08273 189.7
[M+Na-2H]- 307.04355 158.8
[M]+ 286.06833 158.3
[M]- 286.06943 158.3
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.