CID 101631554

(5z,8z)-1,5,8-heptadecatriene

Structural Information

Molecular Formula
C17H30
SMILES
CCCCCCCC/C=C/C/C=C/CCC=C
InChI
InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,9,11,15,17H,1,4-8,10,12-14,16H2,2H3/b11-9+,17-15+
InChIKey
MYHCPULNJBZGRM-HFPDKQRBSA-N
Compound name
(5E,8E)-heptadeca-1,5,8-triene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.