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]+ 311.112536 168.8
[M+Na]+ 333.094478 173.6
[M-H]- 309.097984 170.5
[M+NH4]+ 328.139083 179.3
[M+K]+ 349.068418 171.4
[M+H-H2O]+ 293.102520 161.9
[M+HCOO]- 355.103461 182.3
[M+CH3COO]- 369.119111 195.0
[M+Na-2H]- 331.079926 168.9
[M]+ 310.10471142 166.9
[M]- 310.10580858 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.