CID 22833368

N-benzylpicolinonium chloride

Structural Information

Molecular Formula
C13H16N
SMILES
C[N+]1(CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H16N/c1-14(10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-10H,11-12H2,1H3/q+1
InChIKey
YPLACFZZMRDYLC-UHFFFAOYSA-N
Compound name
1-benzyl-1-methyl-2H-pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

186.12828 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13556 140.5
[M+Na]+ 209.11750 158.0
[M+NH4]+ 204.16210 153.4
[M+K]+ 225.09144 147.5
[M-H]- 185.12100 147.6
[M+Na-2H]- 207.10295 154.0
[M]+ 186.12773 145.8
[M]- 186.12883 145.8
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.