CID 14190656

2-(3,7-dimethylocta-1,6-dien-3-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula
C16H28O6
SMILES
CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)C
InChI
InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3
InChIKey
FLXYFXDZJHWWGW-UHFFFAOYSA-N
Compound name
2-(3,7-dimethylocta-1,6-dien-3-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

316.1886 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19588 176.0
[M+Na]+ 339.17782 179.6
[M-H]- 315.18132 173.9
[M+NH4]+ 334.22242 186.9
[M+K]+ 355.15176 177.5
[M+H-H2O]+ 299.18586 170.9
[M+HCOO]- 361.18680 185.9
[M+CH3COO]- 375.20245 200.7
[M+Na-2H]- 337.16327 174.3
[M]+ 316.18805 175.1
[M]- 316.18915 175.1
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

patents stripe