CID 5280847

P-coumaryl alcohol 4-o-glucoside

Structural Information

Molecular Formula
C15H20O7
SMILES
C1=CC(=CC=C1/C=C/CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C15H20O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h1-6,11-20H,7-8H2/b2-1+/t11-,12-,13+,14-,15-/m1/s1
InChIKey
CRVXJSNSTGEXDX-HHMSBIESSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

312.1209 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.128176 170.3
[M+Na]+ 335.110118 175.4
[M-H]- 311.113624 170.9
[M+NH4]+ 330.154723 180.3
[M+K]+ 351.084058 172.5
[M+H-H2O]+ 295.118160 163.5
[M+HCOO]- 357.119101 182.9
[M+CH3COO]- 371.134751 194.7
[M+Na-2H]- 333.095566 170.4
[M]+ 312.12035142 168.4
[M]- 312.12144858 168.4
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.