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]+ 259.22676 169.0
[M+Na]+ 281.20870 172.4
[M-H]- 257.21220 167.8
[M+NH4]+ 276.25330 186.0
[M+K]+ 297.18264 171.5
[M+H-H2O]+ 241.21674 162.7
[M+HCOO]- 303.21768 188.8
[M+CH3COO]- 317.23333 200.2
[M+Na-2H]- 279.19415 168.7
[M]+ 258.21893 176.0
[M]- 258.22003 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.