CID 56936138

3z,6z,9z,11e-eicosatetraene

Structural Information

Molecular Formula
C20H34
SMILES
CCCCCCCC/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/h5,7,11,13,17-20H,3-4,6,8-10,12,14-16H2,1-2H3/b7-5-,13-11-,19-17-,20-18+
InChIKey
ULJRVVYQTFNMMB-LWKWUERRSA-N
Compound name
(3Z,6Z,9Z,11E)-icosa-3,6,9,11-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.26605 Da
Monoisotopic Mass

8.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.