CID 14753114

7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene

Structural Information

Molecular Formula
C16H26
SMILES
CC/C(=C\C/C=C(\C)/C=C)/CCC=C(C)C
InChI
InChI=1S/C16H26/c1-6-15(5)11-9-13-16(7-2)12-8-10-14(3)4/h6,10-11,13H,1,7-9,12H2,2-5H3/b15-11+,16-13+
InChIKey
LPHPRLLVGKQFEL-NWFDBUFXSA-N
Compound name
(3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

218.20345 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.21073 158.8
[M+Na]+ 241.19267 162.8
[M-H]- 217.19617 157.9
[M+NH4]+ 236.23727 177.6
[M+K]+ 257.16661 158.9
[M+H-H2O]+ 201.20071 153.6
[M+HCOO]- 263.20165 177.3
[M+CH3COO]- 277.21730 194.4
[M+Na-2H]- 239.17812 157.1
[M]+ 218.20290 159.0
[M]- 218.20400 159.0
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.