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

8
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 141.4
[M+Na]+ 209.11750 148.2
[M-H]- 185.12100 146.7
[M+NH4]+ 204.16210 161.3
[M+K]+ 225.09144 139.3
[M+H-H2O]+ 169.12554 136.7
[M+HCOO]- 231.12648 163.0
[M+CH3COO]- 245.14213 175.4
[M+Na-2H]- 207.10295 152.1
[M]+ 186.12773 137.8
[M]- 186.12883 137.8
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.