CID 25244020

4-coumaroyl-4'-hydroxyphenyllactate

Structural Information

Molecular Formula
C18H16O6
SMILES
C1=CC(=CC=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC=C(C=C2)O)O
InChI
InChI=1S/C18H16O6/c19-14-6-1-12(2-7-14)5-10-17(21)24-16(18(22)23)11-13-3-8-15(20)9-4-13/h1-10,16,19-20H,11H2,(H,22,23)/b10-5+/t16-/m1/s1
InChIKey
LVPGCTXCBGXZHO-ZWIJEDICSA-N
Compound name
(2R)-3-(4-hydroxyphenyl)-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 174.1
[M+Na]+ 351.08392 178.8
[M-H]- 327.08742 176.5
[M+NH4]+ 346.12852 185.2
[M+K]+ 367.05786 175.3
[M+H-H2O]+ 311.09196 166.4
[M+HCOO]- 373.09290 191.3
[M+CH3COO]- 387.10855 200.8
[M+Na-2H]- 349.06937 173.8
[M]+ 328.09415 174.2
[M]- 328.09525 174.2
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.