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]+ 351.201336 181.8
[M+Na]+ 373.183278 183.6
[M-H]- 349.186784 180.0
[M+NH4]+ 368.227883 189.6
[M+K]+ 389.157218 182.5
[M+H-H2O]+ 333.191320 176.2
[M+HCOO]- 395.192261 186.5
[M+CH3COO]- 409.207911 203.0
[M+Na-2H]- 371.168726 179.3
[M]+ 350.19351142 176.6
[M]- 350.19460858 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.