CID 90858

Nsc 161507

Structural Information

Molecular Formula
C15H25N2
SMILES
C1CCN(CC1)C=CC=CC=[N+]2CCCCC2
InChI
InChI=1S/C15H25N2/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h3,8-9,14-15H,1-2,4-7,10-13H2/q+1
InChIKey
GHJAWCTZTQSLLU-UHFFFAOYSA-N
Compound name
1-(5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.20177 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.20905 162.5
[M+Na]+ 256.19099 163.3
[M-H]- 232.19449 163.7
[M+NH4]+ 251.23559 176.3
[M+K]+ 272.16493 153.2
[M+H-H2O]+ 216.19903 155.6
[M+HCOO]- 278.19997 175.4
[M+CH3COO]- 292.21562 181.4
[M+Na-2H]- 254.17644 165.9
[M]+ 233.20122 150.7
[M]- 233.20232 150.7
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.