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 178.8
[M+Na]+ 355.17272 181.1
[M-H]- 331.17622 178.4
[M+NH4]+ 350.21732 188.0
[M+K]+ 371.14666 179.3
[M+H-H2O]+ 315.18076 172.7
[M+HCOO]- 377.18170 185.7
[M+CH3COO]- 391.19735 202.2
[M+Na-2H]- 353.15817 173.9
[M]+ 332.18295 173.0
[M]- 332.18405 173.0
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.