CID 131750904

Mono-trans-p-coumaroylmesotartaric acid

Structural Information

Molecular Formula
C14H14O8
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC(C(CC(=O)O)O)C(=O)O)O
InChI
InChI=1S/C14H14O8/c15-9-4-1-8(2-5-9)3-6-12(19)22-13(14(20)21)10(16)7-11(17)18/h1-6,10,13,15-16H,7H2,(H,17,18)(H,20,21)/b6-3+
InChIKey
WZHTXSWUIFRTCQ-ZZXKWVIFSA-N
Compound name
3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

310.06888 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07616 167.0
[M+Na]+ 333.05810 172.7
[M+NH4]+ 328.10270 168.5
[M+K]+ 349.03204 173.1
[M-H]- 309.06160 161.9
[M+Na-2H]- 331.04355 166.0
[M]+ 310.06833 165.4
[M]- 310.06943 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe