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

179
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

literature stripe

Patent stripe

patents stripe