CID 85197858

7-hydroxyterpineol 8-glucoside

Structural Information

Molecular Formula
C16H28O7
SMILES
CC(C)(C1CCC(=CC1)CO)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C16H28O7/c1-16(2,10-5-3-9(7-17)4-6-10)23-15-14(21)13(20)12(19)11(8-18)22-15/h3,10-15,17-21H,4-8H2,1-2H3
InChIKey
JLDWWSSQBYGULG-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]propan-2-yloxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1835 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19078 177.8
[M+Na]+ 355.17272 180.4
[M-H]- 331.17622 177.5
[M+NH4]+ 350.21732 186.9
[M+K]+ 371.14666 179.0
[M+H-H2O]+ 315.18076 171.8
[M+HCOO]- 377.18170 185.4
[M+CH3COO]- 391.19735 200.5
[M+Na-2H]- 353.15817 176.9
[M]+ 332.18295 173.8
[M]- 332.18405 173.8
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.