CID 56936129

1,3z,6z,9z-eicosatetraene

Structural Information

Molecular Formula
C20H34
SMILES
CCCCCCCCCC/C=C\C/C=C\C/C=C\C=C
InChI
InChI=1S/C20H34/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3,5,7,11,13,17,19H,1,4,6,8-10,12,14-16,18,20H2,2H3/b7-5-,13-11-,19-17-
InChIKey
LGPUNUKMUITHAN-JTBMWNAQSA-N
Compound name
(3Z,6Z,9Z)-icosa-1,3,6,9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

274.26605 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.27333 175.8
[M+Na]+ 297.25527 178.8
[M-H]- 273.25877 173.8
[M+NH4]+ 292.29987 192.4
[M+K]+ 313.22921 172.5
[M+H-H2O]+ 257.26331 169.5
[M+HCOO]- 319.26425 195.9
[M+CH3COO]- 333.27990 204.3
[M+Na-2H]- 295.24072 175.7
[M]+ 274.26550 179.5
[M]- 274.26660 179.5
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.