CID 12312707

4-hydroxy-3-prenylbenzoic acid glucoside

Structural Information

Molecular Formula
C18H24O8
SMILES
CC(=CCC1=C(C=CC(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O)C
InChI
InChI=1S/C18H24O8/c1-9(2)3-4-10-7-11(17(23)24)5-6-12(10)25-18-16(22)15(21)14(20)13(8-19)26-18/h3,5-7,13-16,18-22H,4,8H2,1-2H3,(H,23,24)
InChIKey
ZTHSABILDCCHJR-UHFFFAOYSA-N
Compound name
3-(3-methylbut-2-enyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14713 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15441 184.4
[M+Na]+ 391.13635 188.5
[M-H]- 367.13985 184.9
[M+NH4]+ 386.18095 192.0
[M+K]+ 407.11029 186.7
[M+H-H2O]+ 351.14439 177.5
[M+HCOO]- 413.14533 194.3
[M+CH3COO]- 427.16098 209.1
[M+Na-2H]- 389.12180 180.2
[M]+ 368.14658 183.5
[M]- 368.14768 183.5
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.