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
2
Annotation Hits

0
References

9
Patents

186.12828 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.135556 141.4
[M+Na]+ 209.117498 148.2
[M-H]- 185.121004 146.7
[M+NH4]+ 204.162103 161.3
[M+K]+ 225.091438 139.3
[M+H-H2O]+ 169.125540 136.7
[M+HCOO]- 231.126481 163.0
[M+CH3COO]- 245.142131 175.4
[M+Na-2H]- 207.102946 152.1
[M]+ 186.12773142 137.8
[M]- 186.12882858 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.