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 156.1
[M+Na]+ 305.02679 161.6
[M-H]- 281.03029 154.4
[M+NH4]+ 300.07139 168.5
[M+K]+ 321.00073 160.2
[M+H-H2O]+ 265.03483 150.1
[M+HCOO]- 327.03577 172.0
[M+CH3COO]- 341.05142 189.6
[M+Na-2H]- 303.01224 154.9
[M]+ 282.03702 156.4
[M]- 282.03812 156.4
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.