CID 56936067

5,7-diethyl-9-methyl-3e,5e,7e,9e-tridecatetraene

Structural Information

Molecular Formula
C18H30
SMILES
CCC/C=C(\C)/C=C(\CC)/C=C(\CC)/C=C/CC
InChI
InChI=1S/C18H30/c1-6-10-12-16(5)14-18(9-4)15-17(8-3)13-11-7-2/h11-15H,6-10H2,1-5H3/b13-11+,16-12+,17-15+,18-14+
InChIKey
YPHOOIUBOFURLM-FHIIZRLJSA-N
Compound name
(3E,5E,7E,9E)-5,7-diethyl-9-methyltrideca-3,5,7,9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.23476 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.24204 168.3
[M+Na]+ 269.22398 171.5
[M-H]- 245.22748 167.0
[M+NH4]+ 264.26858 186.0
[M+K]+ 285.19792 167.1
[M+H-H2O]+ 229.23202 162.7
[M+HCOO]- 291.23296 186.1
[M+CH3COO]- 305.24861 199.7
[M+Na-2H]- 267.20943 165.5
[M]+ 246.23421 169.1
[M]- 246.23531 169.1
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.