CID 73809750

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

Structural Information

Molecular Formula
C16H30O8
SMILES
CC1(CCC(CC1O)C(C)(C)OC2C(C(C(C(O2)CO)O)O)O)O
InChI
InChI=1S/C16H30O8/c1-15(2,8-4-5-16(3,22)10(18)6-8)24-14-13(21)12(20)11(19)9(7-17)23-14/h8-14,17-22H,4-7H2,1-3H3
InChIKey
RPCUMNYZTIHHPA-UHFFFAOYSA-N
Compound name
2-[2-(3,4-dihydroxy-4-methylcyclohexyl)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

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20134 181.1
[M+Na]+ 373.18328 184.0
[M-H]- 349.18678 179.7
[M+NH4]+ 368.22788 191.1
[M+K]+ 389.15722 183.4
[M+H-H2O]+ 333.19132 176.8
[M+HCOO]- 395.19226 185.8
[M+CH3COO]- 409.20791 202.6
[M+Na-2H]- 371.16873 180.3
[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.