CID 56936131

3z,6z,9z-docosatriene

Structural Information

Molecular Formula
C22H40
SMILES
CCCCCCCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C22H40/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19H,3-4,6,8-10,12,14-16,18,20-22H2,1-2H3/b7-5-,13-11-,19-17-
InChIKey
GYFBJKYDAXNSLJ-JTBMWNAQSA-N
Compound name
(3Z,6Z,9Z)-docosa-3,6,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

304.313 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.32028 186.5
[M+Na]+ 327.30222 188.3
[M-H]- 303.30572 184.1
[M+NH4]+ 322.34682 202.0
[M+K]+ 343.27616 182.1
[M+H-H2O]+ 287.31026 179.7
[M+HCOO]- 349.31120 205.7
[M+CH3COO]- 363.32685 211.1
[M+Na-2H]- 325.28767 185.3
[M]+ 304.31245 191.7
[M]- 304.31355 191.7
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