CID 56936133

3z,6z,9z-tricosatriene

Structural Information

Molecular Formula
C23H42
SMILES
CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C23H42/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19H,3-4,6,8-10,12,14-16,18,20-23H2,1-2H3/b7-5-,13-11-,19-17-
InChIKey
KUNIJGQAWCLQGU-JTBMWNAQSA-N
Compound name
(3Z,6Z,9Z)-tricosa-3,6,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

28
Patents

318.32864 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.33592 190.9
[M+Na]+ 341.31786 192.3
[M-H]- 317.32136 188.3
[M+NH4]+ 336.36246 205.8
[M+K]+ 357.29180 185.8
[M+H-H2O]+ 301.32590 183.8
[M+HCOO]- 363.32684 209.8
[M+CH3COO]- 377.34249 214.1
[M+Na-2H]- 339.30331 189.1
[M]+ 318.32809 196.4
[M]- 318.32919 196.4
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