CID 73075552

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

Structural Information

Molecular Formula
C16H30O8
SMILES
CC1CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(C)(CO)O
InChI
InChI=1S/C16H30O8/c1-8-3-4-9(16(2,22)7-18)5-10(8)23-15-14(21)13(20)12(19)11(6-17)24-15/h8-15,17-22H,3-7H2,1-2H3
InChIKey
SNALOKSNSOHGKY-UHFFFAOYSA-N
Compound name
2-[5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohexyl]oxy-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 179.5
[M+Na]+ 373.18328 184.4
[M+NH4]+ 368.22788 182.2
[M+K]+ 389.15722 184.6
[M-H]- 349.18678 178.1
[M+Na-2H]- 371.16873 176.5
[M]+ 350.19351 179.1
[M]- 350.19461 179.1
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.