CID 56936065

6-ethyl-4-methyl-3e,5e,7e-decatriene

Structural Information

Molecular Formula
C13H22
SMILES
CC/C=C/C(=C/C(=C/CC)/C)/CC
InChI
InChI=1S/C13H22/c1-5-8-10-13(7-3)11-12(4)9-6-2/h8-11H,5-7H2,1-4H3/b10-8+,12-9+,13-11+
InChIKey
XVFSRVJYTDFHHZ-GCMZYXHCSA-N
Compound name
(3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.17215 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.17943 146.8
[M+Na]+ 201.16137 151.9
[M-H]- 177.16487 146.4
[M+NH4]+ 196.20597 167.3
[M+K]+ 217.13531 149.1
[M+H-H2O]+ 161.16941 142.0
[M+HCOO]- 223.17035 167.1
[M+CH3COO]- 237.18600 185.4
[M+Na-2H]- 199.14682 147.9
[M]+ 178.17160 147.2
[M]- 178.17270 147.2
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.