CID 56936208

9,25-pentatricontadiene

Structural Information

Molecular Formula
C35H68
SMILES
CCCCCCCCC/C=C/CCCCCCCCCCCCCC/C=C/CCCCCCCC
InChI
InChI=1S/C35H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19-20,22H,3-16,18,21,23-35H2,1-2H3/b19-17+,22-20+
InChIKey
VUBFGZRCWHKOAI-ZEYSCXRRSA-N
Compound name
(9E,25E)-pentatriaconta-9,25-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.5321 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.53938 243.4
[M+Na]+ 511.52132 239.4
[M-H]- 487.52482 224.2
[M+NH4]+ 506.56592 241.3
[M+K]+ 527.49526 230.3
[M+H-H2O]+ 471.52936 233.9
[M+HCOO]- 533.53030 256.1
[M+CH3COO]- 547.54595 250.7
[M+Na-2H]- 509.50677 235.3
[M]+ 488.53155 246.7
[M]- 488.53265 246.7
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.