CID 13116576

3z,6z,9z-eicosatriene

Structural Information

Molecular Formula
C20H36
SMILES
CCCCCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C20H36/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19H,3-4,6,8-10,12,14-16,18,20H2,1-2H3/b7-5-,13-11-,19-17-
InChIKey
NVTCVZWCSVASGC-JTBMWNAQSA-N
Compound name
(3Z,6Z,9Z)-icosa-3,6,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

276.2817 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.28898 177.7
[M+Na]+ 299.27092 180.3
[M-H]- 275.27442 175.6
[M+NH4]+ 294.31552 194.3
[M+K]+ 315.24486 174.7
[M+H-H2O]+ 259.27896 171.2
[M+HCOO]- 321.27990 197.6
[M+CH3COO]- 335.29555 205.1
[M+Na-2H]- 297.25637 177.5
[M]+ 276.28115 182.0
[M]- 276.28225 182.0
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