CID 5352709

1,8,11-heptadecatriene, (z,z)-

Structural Information

Molecular Formula
C17H30
SMILES
CCCCC/C=C\C/C=C\CCCCCC=C
InChI
InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,12,14-15,17H,1,4-11,13,16H2,2H3/b14-12-,17-15-
InChIKey
XFZBIINLEPBMDY-NERFDCTISA-N
Compound name
(8Z,11Z)-heptadeca-1,8,11-triene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

30
Patents

234.23476 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.24204 164.0
[M+Na]+ 257.22398 167.8
[M-H]- 233.22748 162.5
[M+NH4]+ 252.26858 182.3
[M+K]+ 273.19792 163.0
[M+H-H2O]+ 217.23202 158.2
[M+HCOO]- 279.23296 184.9
[M+CH3COO]- 293.24861 196.7
[M+Na-2H]- 255.20943 165.5
[M]+ 234.23421 167.3
[M]- 234.23531 167.3
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