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 184.0
[M+Na]+ 389.17822 184.7
[M-H]- 365.18172 177.6
[M+NH4]+ 384.22282 190.1
[M+K]+ 405.15216 184.5
[M+H-H2O]+ 349.18626 178.8
[M+HCOO]- 411.18720 187.7
[M+CH3COO]- 425.20285 205.5
[M+Na-2H]- 387.16367 179.2
[M]+ 366.18845 181.6
[M]- 366.18955 181.6
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.