CID 92034556

(z,z)-1,7,13-pentacosatriene

Structural Information

Molecular Formula
C25H46
SMILES
CCCCCCCCCCC/C=C\CCCC/C=C\CCCCC=C
InChI
InChI=1S/C25H46/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/h3,13,15,24-25H,1,4-12,14,16-23H2,2H3/b15-13-,25-24-
InChIKey
HGQIKZGGOPNPKM-KMMRODEJSA-N
Compound name
(7Z,13Z)-pentacosa-1,7,13-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.35995 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.36723 199.4
[M+Na]+ 369.34917 199.8
[M-H]- 345.35267 196.3
[M+NH4]+ 364.39377 213.0
[M+K]+ 385.32311 192.8
[M+H-H2O]+ 329.35721 191.9
[M+HCOO]- 391.35815 217.5
[M+CH3COO]- 405.37380 220.7
[M+Na-2H]- 367.33462 196.5
[M]+ 346.35940 205.7
[M]- 346.36050 205.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.