CID 5319559

1,8,11,14-heptadecatetraene

Structural Information

Molecular Formula
C17H28
SMILES
CC/C=C/C/C=C/C/C=C/CCCCCC=C
InChI
InChI=1S/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14-15,17H,1,4-5,7,9-11,13,16H2,2H3/b8-6+,14-12+,17-15+
InChIKey
JXRNMQDTJAQLAQ-LIFWOIOZSA-N
Compound name
(8E,11E,14E)-heptadeca-1,8,11,14-tetraene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

196
Patents

232.2191 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.22638 162.5
[M+Na]+ 255.20832 166.6
[M-H]- 231.21182 161.1
[M+NH4]+ 250.25292 180.8
[M+K]+ 271.18226 161.2
[M+H-H2O]+ 215.21636 156.7
[M+HCOO]- 277.21730 183.5
[M+CH3COO]- 291.23295 195.2
[M+Na-2H]- 253.19377 164.0
[M]+ 232.21855 165.0
[M]- 232.21965 165.0
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.