CID 71440115

3,5-nonadiene, 7,9,9-triethoxy-

Structural Information

Molecular Formula
C15H28O3
SMILES
CCC=CC=CC(CC(OCC)OCC)OCC
InChI
InChI=1S/C15H28O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h9-12,14-15H,5-8,13H2,1-4H3
InChIKey
RTEIGGOBUZSFHU-UHFFFAOYSA-N
Compound name
7,9,9-triethoxynona-3,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.20386 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.211136 167.4
[M+Na]+ 279.193078 171.2
[M-H]- 255.196584 166.3
[M+NH4]+ 274.237683 184.5
[M+K]+ 295.167018 169.7
[M+H-H2O]+ 239.201120 161.3
[M+HCOO]- 301.202061 187.4
[M+CH3COO]- 315.217711 198.7
[M+Na-2H]- 277.178526 167.2
[M]+ 256.20331142 173.7
[M]- 256.20440858 173.7
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.