CID 71440114

4-undecene, 1,1,3-triethoxy-

Structural Information

Molecular Formula
C17H34O3
SMILES
CCCCCCC=CC(CC(OCC)OCC)OCC
InChI
InChI=1S/C17H34O3/c1-5-9-10-11-12-13-14-16(18-6-2)15-17(19-7-3)20-8-4/h13-14,16-17H,5-12,15H2,1-4H3
InChIKey
NXYOWUFBHVQRNC-UHFFFAOYSA-N
Compound name
1,1,3-triethoxyundec-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2508 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.258076 178.2
[M+Na]+ 309.240018 180.7
[M-H]- 285.243524 176.6
[M+NH4]+ 304.284623 194.0
[M+K]+ 325.213958 179.3
[M+H-H2O]+ 269.248060 171.5
[M+HCOO]- 331.249001 197.3
[M+CH3COO]- 345.264651 206.2
[M+Na-2H]- 307.225466 176.8
[M]+ 286.25025142 185.9
[M]- 286.25134858 185.9
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.