CID 12124398

9,10-pentacosadiene

Structural Information

Molecular Formula
C25H48
SMILES
CCCCCCCCCCCCCCC=C=CCCCCCCCC
InChI
InChI=1S/C25H48/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/h17,21H,3-16,18,20,22-25H2,1-2H3
InChIKey
DXBGJJXZTQSWTG-UHFFFAOYSA-N
Compound name
pentacosa-9,10-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.3756 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.38288 201.2
[M+Na]+ 371.36482 201.4
[M-H]- 347.36832 198.1
[M+NH4]+ 366.40942 214.9
[M+K]+ 387.33876 194.9
[M+H-H2O]+ 331.37286 193.6
[M+HCOO]- 393.37380 219.2
[M+CH3COO]- 407.38945 221.5
[M+Na-2H]- 369.35027 198.3
[M]+ 348.37505 208.2
[M]- 348.37615 208.2
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

No patent data available for this compound.