CID 11427023

3z,6z,9z,12z,15z-tricosapentaene

Structural Information

Molecular Formula
C23H38
SMILES
CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C23H38/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,16-19,22-23H,3-4,6,8-10,12,14-15,20-21H2,1-2H3/b7-5-,13-11-,18-16-,19-17-,23-22-
InChIKey
WZOLXZVFYDHGLR-CUUFJFTBSA-N
Compound name
(3Z,6Z,9Z,12Z,15Z)-tricosa-3,6,9,12,15-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

314.29736 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.30464 187.7
[M+Na]+ 337.28658 189.8
[M-H]- 313.29008 185.2
[M+NH4]+ 332.33118 202.8
[M+K]+ 353.26052 182.2
[M+H-H2O]+ 297.29462 180.9
[M+HCOO]- 359.29556 207.0
[M+CH3COO]- 373.31121 211.1
[M+Na-2H]- 335.27203 186.0
[M]+ 314.29681 191.6
[M]- 314.29791 191.6
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