CID 85225480

1,2,10-trihydroxydihydro-trans-linalyl oxide 7-o-beta-d-glucopyranoside

Structural Information

Molecular Formula

C₁₆H₃₀O₁₀

SMILES

CC(C)(C1CCC(O1)(CO)C(CO)O)OC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C16H30O10/c1-15(2,10-3-4-16(7-19,25-10)9(20)6-18)26-14-13(23)12(22)11(21)8(5-17)24-14/h8-14,17-23H,3-7H2,1-2H3

InChIKey

RYNMENUEBZLOQZ-UHFFFAOYSA-N

Compound name

2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 382.1839 Da
Monoisotopic Mass: -3.1
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]+	383.191176	184.7
[M+Na]+	405.173118	186.1
[M-H]-	381.176624	182.5
[M+NH4]+	400.217723	192.5
[M+K]+	421.147058	187.1
[M+H-H2O]+	365.181160	181.2
[M+HCOO]-	427.182101	188.4
[M+CH3COO]-	441.197751	205.0
[M+Na-2H]-	403.158566	183.8
[M]+	382.18335142	182.9
[M]-	382.18444858	182.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.