CID 6450415

1,1,3-triethoxy-4-undecene

Structural Information

Molecular Formula
C17H34O3
SMILES
CCCCCC/C=C/[C@@H](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/b14-13+/t16-/m0/s1
InChIKey
NXYOWUFBHVQRNC-VUSFMPOISA-N
Compound name
(E,3R)-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]+ 287.25808 175.2
[M+Na]+ 309.24002 182.5
[M+NH4]+ 304.28462 180.5
[M+K]+ 325.21396 176.1
[M-H]- 285.24352 173.2
[M+Na-2H]- 307.22547 175.3
[M]+ 286.25025 175.3
[M]- 286.25135 175.3
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.