CID 74937233

Zingerone glucoside

Structural Information

Molecular Formula
C17H24O8
SMILES
CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC
InChI
InChI=1S/C17H24O8/c1-9(19)3-4-10-5-6-11(12(7-10)23-2)24-17-16(22)15(21)14(20)13(8-18)25-17/h5-7,13-18,20-22H,3-4,8H2,1-2H3
InChIKey
GXSGZLLXMDVQAS-UHFFFAOYSA-N
Compound name
4-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

356.14713 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15441 180.4
[M+Na]+ 379.13635 185.3
[M-H]- 355.13985 182.4
[M+NH4]+ 374.18095 189.4
[M+K]+ 395.11029 184.5
[M+H-H2O]+ 339.14439 173.2
[M+HCOO]- 401.14533 193.0
[M+CH3COO]- 415.16098 208.2
[M+Na-2H]- 377.12180 178.4
[M]+ 356.14658 182.4
[M]- 356.14768 182.4
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

patents stripe