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]+ 257.21114 167.4
[M+Na]+ 279.19308 171.2
[M-H]- 255.19658 166.3
[M+NH4]+ 274.23768 184.5
[M+K]+ 295.16702 169.7
[M+H-H2O]+ 239.20112 161.3
[M+HCOO]- 301.20206 187.4
[M+CH3COO]- 315.21771 198.7
[M+Na-2H]- 277.17853 167.2
[M]+ 256.20331 173.7
[M]- 256.20441 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.