CID 91106

23996-77-2

Structural Information

Molecular Formula
C16H27N2
SMILES
CC(=CC=CN1CCCCC1)C=[N+]2CCCCC2
InChI
InChI=1S/C16H27N2/c1-16(15-18-12-6-3-7-13-18)9-8-14-17-10-4-2-5-11-17/h8-9,14-15H,2-7,10-13H2,1H3/q+1
InChIKey
DGXXNSJVNJOSJG-UHFFFAOYSA-N
Compound name
1-(4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.21742 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.22470 166.8
[M+Na]+ 270.20664 167.0
[M-H]- 246.21014 168.0
[M+NH4]+ 265.25124 180.0
[M+K]+ 286.18058 157.1
[M+H-H2O]+ 230.21468 159.9
[M+HCOO]- 292.21562 178.4
[M+CH3COO]- 306.23127 185.1
[M+Na-2H]- 268.19209 168.6
[M]+ 247.21687 154.7
[M]- 247.21797 154.7
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.