CID 13783633

Trans-p-coumaric acid 4-glucoside

Structural Information

Molecular Formula
C15H18O8
SMILES
C1=CC(=CC=C1/C=C/C(=O)O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+
InChIKey
LJFYQZQUAULRDF-ZZXKWVIFSA-N
Compound name
(E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

25
Patents

326.10016 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.107436 171.2
[M+Na]+ 349.089378 176.0
[M-H]- 325.092884 171.8
[M+NH4]+ 344.133983 180.3
[M+K]+ 365.063318 174.0
[M+H-H2O]+ 309.097420 164.3
[M+HCOO]- 371.098361 183.2
[M+CH3COO]- 385.114011 197.6
[M+Na-2H]- 347.074826 170.3
[M]+ 326.09961142 169.5
[M]- 326.10070858 169.5
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