CID 548906

Schembl8766758

Structural Information

Molecular Formula
C14H22
SMILES
C=CCCC=CCCC=CCCC=C
InChI
InChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4,9-12H,1-2,5-8,13-14H2
InChIKey
DHLQCLRZNQGXIE-UHFFFAOYSA-N
Compound name
tetradeca-1,5,9,13-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

190.17215 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.179426 148.7
[M+Na]+ 213.161368 154.0
[M-H]- 189.164874 147.8
[M+NH4]+ 208.205973 168.6
[M+K]+ 229.135308 149.4
[M+H-H2O]+ 173.169410 143.5
[M+HCOO]- 235.170351 170.8
[M+CH3COO]- 249.186001 186.7
[M+Na-2H]- 211.146816 151.8
[M]+ 190.17160142 150.2
[M]- 190.17269858 150.2
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

patents stripe