CID 6433829

Octahydro-1-(5-octahydroazonino-2,4-pentadienylidene)azoninium chloride

Structural Information

Molecular Formula
C21H37N2
SMILES
C1CCCCN(CCC1)/C=C/C=C/C=[N+]2CCCCCCCC2
InChI
InChI=1S/C21H37N2/c1-2-6-11-17-22(16-10-5-1)20-14-9-15-21-23-18-12-7-3-4-8-13-19-23/h9,14-15,20-21H,1-8,10-13,16-19H2/q+1
InChIKey
DQNWVRCPBWLECP-UHFFFAOYSA-N
Compound name
1-[(1E,3E)-5-(azonan-1-ium-1-ylidene)penta-1,3-dienyl]azonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.2957 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.30298 203.3
[M+Na]+ 340.28492 204.1
[M-H]- 316.28842 203.3
[M+NH4]+ 335.32952 203.4
[M+K]+ 356.25886 203.2
[M+H-H2O]+ 300.29296 199.3
[M+HCOO]- 362.29390 203.8
[M+CH3COO]- 376.30955 204.1
[M+Na-2H]- 338.27037 204.7
[M]+ 317.29515 203.5
[M]- 317.29625 203.5
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.