CID 131752962

2-o-caffeoyltartronic acid

Structural Information

Molecular Formula
C12H10O8
SMILES
C1=CC(=C(C=C1/C=C/C(=O)OC(C(=O)O)C(=O)O)O)O
InChI
InChI=1S/C12H10O8/c13-7-3-1-6(5-8(7)14)2-4-9(15)20-10(11(16)17)12(18)19/h1-5,10,13-14H,(H,16,17)(H,18,19)/b4-2+
InChIKey
URLZWXXTZHVFBD-DUXPYHPUSA-N
Compound name
2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.03757 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04485 158.9
[M+Na]+ 305.02679 165.6
[M+NH4]+ 300.07139 160.8
[M+K]+ 321.00073 165.9
[M-H]- 281.03029 154.1
[M+Na-2H]- 303.01224 158.4
[M]+ 282.03702 157.6
[M]- 282.03812 157.6
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.