CID 161871

Fukiic acid

Structural Information

Molecular Formula
C11H12O8
SMILES
C1=CC(=C(C=C1C[C@@]([C@@H](C(=O)O)O)(C(=O)O)O)O)O
InChI
InChI=1S/C11H12O8/c12-6-2-1-5(3-7(6)13)4-11(19,10(17)18)8(14)9(15)16/h1-3,8,12-14,19H,4H2,(H,15,16)(H,17,18)/t8-,11-/m1/s1
InChIKey
PHFSBARLASYIFM-LDYMZIIASA-N
Compound name
(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

156
Patents

272.05322 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06050 155.7
[M+Na]+ 295.04244 161.5
[M+NH4]+ 290.08704 157.5
[M+K]+ 311.01638 163.3
[M-H]- 271.04594 150.0
[M+Na-2H]- 293.02789 154.9
[M]+ 272.05267 154.1
[M]- 272.05377 154.1
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