CID 56936068

6,8-diethyl-4-methyl-3e,5e,7e,9e-dodecatetraene

Structural Information

Molecular Formula
C17H28
SMILES
CC/C=C/C(=C/C(=C/C(=C/CC)/C)/CC)/CC
InChI
InChI=1S/C17H28/c1-6-10-12-16(8-3)14-17(9-4)13-15(5)11-7-2/h10-14H,6-9H2,1-5H3/b12-10+,15-11+,16-14+,17-13+
InChIKey
YHCDUBINXCMNBC-AZJPFMHZSA-N
Compound name
(3E,5E,7E,9E)-6,8-diethyl-4-methyldodeca-3,5,7,9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.2191 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.22638 163.6
[M+Na]+ 255.20832 167.3
[M-H]- 231.21182 162.6
[M+NH4]+ 250.25292 181.9
[M+K]+ 271.18226 163.2
[M+H-H2O]+ 215.21636 158.3
[M+HCOO]- 277.21730 181.8
[M+CH3COO]- 291.23295 196.7
[M+Na-2H]- 253.19377 161.4
[M]+ 232.21855 164.1
[M]- 232.21965 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.