CID 85309705

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

Structural Information

Molecular Formula
C16H30O9
SMILES
CC1(CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(C)(CO)O)O
InChI
InChI=1S/C16H30O9/c1-15(22)4-3-8(16(2,23)7-18)5-10(15)25-14-13(21)12(20)11(19)9(6-17)24-14/h8-14,17-23H,3-7H2,1-2H3
InChIKey
HKSOQIVAOUMKMF-UHFFFAOYSA-N
Compound name
2-[5-(1,2-dihydroxypropan-2-yl)-2-hydroxy-2-methylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.189 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19628 180.5
[M+Na]+ 389.17822 184.4
[M+NH4]+ 384.22282 183.6
[M+K]+ 405.15216 183.9
[M-H]- 365.18172 178.0
[M+Na-2H]- 387.16367 178.4
[M]+ 366.18845 179.7
[M]- 366.18955 179.7
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.