CID 6450414

1,1,3-triethoxy-4-nonene

Structural Information

Molecular Formula
C15H30O3
SMILES
CCCC/C=C/[C@@H](CC(OCC)OCC)OCC
InChI
InChI=1S/C15H30O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h11-12,14-15H,5-10,13H2,1-4H3/b12-11+/t14-/m0/s1
InChIKey
GMJRSWGCHBIIBV-GETOMWPZSA-N
Compound name
(E,3R)-1,1,3-triethoxynon-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.21948 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.226756 169.0
[M+Na]+ 281.208698 172.4
[M-H]- 257.212204 167.8
[M+NH4]+ 276.253303 186.0
[M+K]+ 297.182638 171.5
[M+H-H2O]+ 241.216740 162.7
[M+HCOO]- 303.217681 188.8
[M+CH3COO]- 317.233331 200.2
[M+Na-2H]- 279.194146 168.7
[M]+ 258.21893142 176.0
[M]- 258.22002858 176.0
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.