CID 15699109

Coniferaldehyde glucoside

Structural Information

Molecular Formula
C16H20O8
SMILES
COC1=C(C=CC(=C1)/C=C/C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C16H20O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-7,12-16,18-21H,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
InChIKey
PJFKUPRDDXTASO-FAOXUISGSA-N
Compound name
(E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

14
Patents

340.1158 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12308 176.7
[M+Na]+ 363.10502 186.0
[M+NH4]+ 358.14962 180.0
[M+K]+ 379.07896 183.4
[M-H]- 339.10852 177.2
[M+Na-2H]- 361.09047 177.1
[M]+ 340.11525 177.6
[M]- 340.11635 177.6
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

patents stripe