CID 11634003

5z,27z-tritriacontadiene

Structural Information

Molecular Formula
C33H64
SMILES
CCCCC/C=C\CCCCCCCCCCCCCCCCCCCC/C=C\CCCC
InChI
InChI=1S/C33H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11-12,14H,3-8,10,13,15-33H2,1-2H3/b11-9-,14-12-
InChIKey
ZQFFTLYAFWRHAE-YJKQCFOZSA-N
Compound name
(5Z,27Z)-tritriaconta-5,27-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.5008 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.50808 235.2
[M+Na]+ 483.49002 232.0
[M-H]- 459.49352 230.3
[M+NH4]+ 478.53462 234.3
[M+K]+ 499.46396 223.4
[M+H-H2O]+ 443.49806 226.0
[M+HCOO]- 505.49900 249.7
[M+CH3COO]- 519.51465 244.9
[M+Na-2H]- 481.47547 228.1
[M]+ 460.50025 245.2
[M]- 460.50135 245.2
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.