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

2
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

patents stripe