CID 11450723

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

Structural Information

Molecular Formula
C25H42
SMILES
CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C25H42/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19-20,22-23,25H,3-4,6,8-10,12,14-16,18,21,24H2,1-2H3/b7-5-,13-11-,19-17-,22-20-,25-23-
InChIKey
OSRWRHWPSOAWEM-UCBGEFNCSA-N
Compound name
(3Z,6Z,9Z,12Z,15Z)-pentacosa-3,6,9,12,15-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

342.32864 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.33592 196.4
[M+Na]+ 365.31786 197.7
[M-H]- 341.32136 193.5
[M+NH4]+ 360.36246 210.3
[M+K]+ 381.29180 189.5
[M+H-H2O]+ 325.32590 189.2
[M+HCOO]- 387.32684 215.0
[M+CH3COO]- 401.34249 217.1
[M+Na-2H]- 363.30331 193.7
[M]+ 342.32809 201.1
[M]- 342.32919 201.1
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