CID 85216187

Trans-p-menthane-1,7,8-triol 8-glucoside

Structural Information

Molecular Formula
C16H30O8
SMILES
CC(C)(C1CCC(CC1)(CO)O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C16H30O8/c1-15(2,9-3-5-16(22,8-18)6-4-9)24-14-13(21)12(20)11(19)10(7-17)23-14/h9-14,17-22H,3-8H2,1-2H3
InChIKey
PHDIOUHOXBJRFB-UHFFFAOYSA-N
Compound name
2-[2-[4-hydroxy-4-(hydroxymethyl)cyclohexyl]propan-2-yloxy]-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

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20134 181.3
[M+Na]+ 373.18328 183.3
[M-H]- 349.18678 179.4
[M+NH4]+ 368.22788 190.9
[M+K]+ 389.15722 182.5
[M+H-H2O]+ 333.19132 176.6
[M+HCOO]- 395.19226 186.0
[M+CH3COO]- 409.20791 201.1
[M+Na-2H]- 371.16873 181.1
[M]+ 350.19351 176.2
[M]- 350.19461 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.