CID 56936204

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

Structural Information

Molecular Formula
C17H30
SMILES
CC/C(=C/CC/C(=C/C/C=C(\C)/CC)/CC)/C
InChI
InChI=1S/C17H30/c1-6-15(4)11-9-13-17(8-3)14-10-12-16(5)7-2/h11-13H,6-10,14H2,1-5H3/b15-11+,16-12+,17-13+
InChIKey
OORBBSBTCABQGS-GWZYDACJSA-N
Compound name
(3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-3,6,10-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.23476 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.24204 165.4
[M+Na]+ 257.22398 168.7
[M-H]- 233.22748 164.3
[M+NH4]+ 252.26858 183.6
[M+K]+ 273.19792 165.1
[M+H-H2O]+ 217.23202 159.9
[M+HCOO]- 279.23296 183.3
[M+CH3COO]- 293.24861 198.3
[M+Na-2H]- 255.20943 163.1
[M]+ 234.23421 166.6
[M]- 234.23531 166.6
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.