CID 56936174

3,7-diethyl-11-methyltrideca-1,3,6,10-tetraene

Structural Information

Molecular Formula
C18H32
SMILES
CC/C(=C/CC/C(=C/CC=C(CC)CC)/CC)/C
InChI
InChI=1S/C18H32/c1-6-16(5)12-10-14-18(9-4)15-11-13-17(7-2)8-3/h12-13,15H,6-11,14H2,1-5H3/b16-12+,18-15+
InChIKey
AMUXOEXEZZZMNW-GBHPYOBUSA-N
Compound name
(6E,10E)-3,7-diethyl-11-methyltrideca-3,6,10-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.2504 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.25768 170.0
[M+Na]+ 271.23962 172.9
[M-H]- 247.24312 168.7
[M+NH4]+ 266.28422 187.6
[M+K]+ 287.21356 169.1
[M+H-H2O]+ 231.24766 164.3
[M+HCOO]- 293.24860 187.6
[M+CH3COO]- 307.26425 201.3
[M+Na-2H]- 269.22507 167.1
[M]+ 248.24985 171.6
[M]- 248.25095 171.6
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.