CID 85370697

(1s,2r,4r)-p-menth-8-ene-2,10-diol 2-glucoside

Structural Information

Molecular Formula
C16H28O7
SMILES
CC1CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(=C)CO
InChI
InChI=1S/C16H28O7/c1-8-3-4-10(9(2)6-17)5-11(8)22-16-15(21)14(20)13(19)12(7-18)23-16/h8,10-21H,2-7H2,1H3
InChIKey
QWBJNLICFDXNJB-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexyl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1835 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19078 177.7
[M+Na]+ 355.17272 183.7
[M+NH4]+ 350.21732 181.2
[M+K]+ 371.14666 182.4
[M-H]- 331.17622 177.5
[M+Na-2H]- 353.15817 175.1
[M]+ 332.18295 177.8
[M]- 332.18405 177.8
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.