CID 85242164

(2r,6x)-7-methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside

Structural Information

Molecular Formula
C16H30O9
SMILES
CC(C)(C(CCC(=C)C(CO)OC1C(C(C(C(O1)CO)O)O)O)O)O
InChI
InChI=1S/C16H30O9/c1-8(4-5-11(19)16(2,3)23)9(6-17)24-15-14(22)13(21)12(20)10(7-18)25-15/h9-15,17-23H,1,4-7H2,2-3H3
InChIKey
YTJFEBUQZTULAC-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(1,6,7-trihydroxy-7-methyl-3-methylideneoctan-2-yl)oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.189 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19628 183.0
[M+Na]+ 389.17822 185.0
[M+NH4]+ 384.22282 183.0
[M+K]+ 405.15216 188.0
[M-H]- 365.18172 177.1
[M+Na-2H]- 387.16367 176.7
[M]+ 366.18845 180.6
[M]- 366.18955 180.6
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.