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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.18568 178.8
[M+Na]+ 371.16762 182.4
[M-H]- 347.17112 179.4
[M+NH4]+ 366.21222 189.8
[M+K]+ 387.14156 182.0
[M+H-H2O]+ 331.17566 175.4
[M+HCOO]- 393.17660 186.5
[M+CH3COO]- 407.19225 201.9
[M+Na-2H]- 369.15307 179.1
[M]+ 348.17785 177.5
[M]- 348.17895 177.5
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.