CID 85189026

Cis-10-hydroxylinalyl oxide 7-glucoside

Structural Information

Molecular Formula

C₁₆H₂₈O₈

SMILES

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

InChI

InChI=1S/C16H28O8/c1-4-16(8-18)6-5-10(23-16)15(2,3)24-14-13(21)12(20)11(19)9(7-17)22-14/h4,9-14,17-21H,1,5-8H2,2-3H3

InChIKey

QSBRHMSGMHEVKB-UHFFFAOYSA-N

Compound name

2-[2-[5-ethenyl-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: 348.1784 Da
Monoisotopic Mass: -1.2
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]+	349.185676	178.8
[M+Na]+	371.167618	182.4
[M-H]-	347.171124	179.4
[M+NH4]+	366.212223	189.8
[M+K]+	387.141558	182.0
[M+H-H2O]+	331.175660	175.4
[M+HCOO]-	393.176601	186.5
[M+CH3COO]-	407.192251	201.9
[M+Na-2H]-	369.153066	179.1
[M]+	348.17785142	177.5
[M]-	348.17894858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.