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 178.2
[M+Na]+ 309.24002 180.7
[M-H]- 285.24352 176.6
[M+NH4]+ 304.28462 194.0
[M+K]+ 325.21396 179.3
[M+H-H2O]+ 269.24806 171.5
[M+HCOO]- 331.24900 197.3
[M+CH3COO]- 345.26465 206.2
[M+Na-2H]- 307.22547 176.8
[M]+ 286.25025 185.9
[M]- 286.25135 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.