CID 73809749

(1s,2r,4r,8s)-p-menthane-2,8,9-triol 9-glucoside

Structural Information

Molecular Formula
C16H30O8
SMILES
CC1CCC(CC1O)C(C)(COC2C(C(C(C(O2)CO)O)O)O)O
InChI
InChI=1S/C16H30O8/c1-8-3-4-9(5-10(8)18)16(2,22)7-23-15-14(21)13(20)12(19)11(6-17)24-15/h8-15,17-22H,3-7H2,1-2H3
InChIKey
KRTKKVIKRTZKGY-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-2-(3-hydroxy-4-methylcyclohexyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19406 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20134 181.8
[M+Na]+ 373.18328 183.6
[M-H]- 349.18678 180.0
[M+NH4]+ 368.22788 189.6
[M+K]+ 389.15722 182.5
[M+H-H2O]+ 333.19132 176.2
[M+HCOO]- 395.19226 186.5
[M+CH3COO]- 409.20791 203.0
[M+Na-2H]- 371.16873 179.3
[M]+ 350.19351 176.6
[M]- 350.19461 176.6
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.