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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	351.201336	181.1
[M+Na]+	373.183278	184.0
[M-H]-	349.186784	179.7
[M+NH4]+	368.227883	191.1
[M+K]+	389.157218	183.4
[M+H-H2O]+	333.191320	176.8
[M+HCOO]-	395.192261	185.8
[M+CH3COO]-	409.207911	202.6
[M+Na-2H]-	371.168726	180.3
[M]+	350.19351142	176.6
[M]-	350.19460858	176.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.