CID 131751622

3,7-dimethyl-5-octene-1,7-diol 1-glucoside

Structural Information

Molecular Formula
C16H30O7
SMILES
CC(CCOC1C(C(C(C(O1)CO)O)O)O)C/C=C/C(C)(C)O
InChI
InChI=1S/C16H30O7/c1-10(5-4-7-16(2,3)21)6-8-22-15-14(20)13(19)12(18)11(9-17)23-15/h4,7,10-15,17-21H,5-6,8-9H2,1-3H3/b7-4+
InChIKey
ZCDKJIRLFSPIQI-QPJJXVBHSA-N
Compound name
2-[(E)-7-hydroxy-3,7-dimethyloct-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.19916 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.20644 180.3
[M+Na]+ 357.18838 183.0
[M-H]- 333.19188 176.7
[M+NH4]+ 352.23298 189.7
[M+K]+ 373.16232 181.4
[M+H-H2O]+ 317.19642 175.0
[M+HCOO]- 379.19736 188.7
[M+CH3COO]- 393.21301 201.7
[M+Na-2H]- 355.17383 178.3
[M]+ 334.19861 179.8
[M]- 334.19971 179.8
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.