CID 56936112

6z,9z,20-heneicosatriene

Structural Information

Molecular Formula
C21H38
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCC=C
InChI
InChI=1S/C21H38/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,12,14,18,20H,1,4-11,13,15-17,19,21H2,2H3/b14-12-,20-18-
InChIKey
JEADKAHJFBCEDU-MLWYYCKJSA-N
Compound name
(12Z,15Z)-henicosa-1,12,15-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

290.29736 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.30464 181.9
[M+Na]+ 313.28658 184.0
[M-H]- 289.29008 179.6
[M+NH4]+ 308.33118 197.8
[M+K]+ 329.26052 178.1
[M+H-H2O]+ 273.29462 175.2
[M+HCOO]- 335.29556 201.4
[M+CH3COO]- 349.31121 208.8
[M+Na-2H]- 311.27203 181.1
[M]+ 290.29681 186.7
[M]- 290.29791 186.7
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