CID 56936115

6z,9z-pentacosadiene

Structural Information

Molecular Formula
C25H48
SMILES
CCCCCCCCCCCCCCC/C=C\C/C=C\CCCCC
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/h11,13,17,19H,3-10,12,14-16,18,20-25H2,1-2H3/b13-11-,19-17-
InChIKey
HEDSUJXTHUJEDT-OHNCOSGTSA-N
Compound name
(6Z,9Z)-pentacosa-6,9-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

348.3756 Da
Monoisotopic Mass

12.1
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

patents stripe