CID 44207804

3z,6z,9z,12z-eicosatetraene

Structural Information

Molecular Formula
C20H34
SMILES
CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C20H34/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,16-19H,3-4,6,8-10,12,14-15,20H2,1-2H3/b7-5-,13-11-,18-16-,19-17-
InChIKey
BGXLLGYBDSOFJB-PPEBMUNXSA-N
Compound name
(3Z,6Z,9Z,12Z)-icosa-3,6,9,12-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

274.26605 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.27333 176.1
[M+Na]+ 297.25527 179.1
[M-H]- 273.25877 174.1
[M+NH4]+ 292.29987 192.8
[M+K]+ 313.22921 172.9
[M+H-H2O]+ 257.26331 169.8
[M+HCOO]- 319.26425 196.2
[M+CH3COO]- 333.27990 203.6
[M+Na-2H]- 295.24072 176.0
[M]+ 274.26550 179.7
[M]- 274.26660 179.7
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