CID 14345566

(e)-2-o-cinnamoyl-beta-d-glucopyranose

Structural Information

Molecular Formula
C15H18O7
SMILES
C1=CC=C(C=C1)/C=C/C(=O)OC2C(C(C(OC2O)CO)O)O
InChI
InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(15(20)21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+
InChIKey
POOVYWIYTSHEES-VOTSOKGWSA-N
Compound name
[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.10526 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11254 168.8
[M+Na]+ 333.09448 173.6
[M-H]- 309.09798 170.5
[M+NH4]+ 328.13908 179.3
[M+K]+ 349.06842 171.4
[M+H-H2O]+ 293.10252 161.9
[M+HCOO]- 355.10346 182.3
[M+CH3COO]- 369.11911 195.0
[M+Na-2H]- 331.07993 168.9
[M]+ 310.10471 166.9
[M]- 310.10581 166.9
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

No patent data available for this compound.