CID 14607868

3z,6z,9z-heptadecatriene

Structural Information

Molecular Formula
C17H30
SMILES
CCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h5,7,11,13,16-17H,3-4,6,8-10,12,14-15H2,1-2H3/b7-5-,13-11-,17-16-
InChIKey
AWDNOOUTXPCPBH-YYPVPKODSA-N
Compound name
(3Z,6Z,9Z)-heptadeca-3,6,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

234.23476 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.24204 164.3
[M+Na]+ 257.22398 168.1
[M-H]- 233.22748 162.8
[M+NH4]+ 252.26858 182.6
[M+K]+ 273.19792 163.3
[M+H-H2O]+ 217.23202 158.4
[M+HCOO]- 279.23296 185.1
[M+CH3COO]- 293.24861 196.1
[M+Na-2H]- 255.20943 165.7
[M]+ 234.23421 167.5
[M]- 234.23531 167.5
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