CID 56936169

3,6,9-hexadecatriene

Structural Information

Molecular Formula
C16H28
SMILES
CCCCCC/C=C/C/C=C/C/C=C/CC
InChI
InChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h5,7,11,13-14,16H,3-4,6,8-10,12,15H2,1-2H3/b7-5+,13-11+,16-14+
InChIKey
XIOMYUYIOZJQJL-WHEYLVAPSA-N
Compound name
(3E,6E,9E)-hexadeca-3,6,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.2191 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.22638 159.8
[M+Na]+ 243.20832 164.0
[M-H]- 219.21182 158.5
[M+NH4]+ 238.25292 178.6
[M+K]+ 259.18226 159.5
[M+H-H2O]+ 203.21636 154.1
[M+HCOO]- 265.21730 181.0
[M+CH3COO]- 279.23295 193.0
[M+Na-2H]- 241.19377 161.7
[M]+ 220.21855 162.6
[M]- 220.21965 162.6
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.