CID 53435769

Dtxsid101169771

Structural Information

Molecular Formula
C16H30O4
SMILES
CC(COC(C=C(C)CCC=C(C)C)OCC(C)O)O
InChI
InChI=1S/C16H30O4/c1-12(2)7-6-8-13(3)9-16(19-10-14(4)17)20-11-15(5)18/h7,9,14-18H,6,8,10-11H2,1-5H3
InChIKey
MAOZUHCHTZKVDC-UHFFFAOYSA-N
Compound name
1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.21442 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.221696 176.1
[M+Na]+ 309.203638 177.9
[M-H]- 285.207144 172.1
[M+NH4]+ 304.248243 190.2
[M+K]+ 325.177578 176.5
[M+H-H2O]+ 269.211680 170.4
[M+HCOO]- 331.212621 190.0
[M+CH3COO]- 345.228271 201.2
[M+Na-2H]- 307.189086 170.6
[M]+ 286.21387142 178.3
[M]- 286.21496858 178.3
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.