CID 150459

1-methyl-4-phenyl-2,3-dihydropyridinium

Structural Information

Molecular Formula
C12H14N
SMILES
C[N+]1=CC=C(CC1)C2=CC=CC=C2
InChI
InChI=1S/C12H14N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3/q+1
InChIKey
XQWOWMFNCZGEIT-UHFFFAOYSA-N
Compound name
1-methyl-4-phenyl-2,3-dihydropyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

60
References

92
Patents

172.11263 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11991 138.4
[M+Na]+ 195.10185 145.8
[M-H]- 171.10535 144.0
[M+NH4]+ 190.14645 157.0
[M+K]+ 211.07579 137.1
[M+H-H2O]+ 155.10989 133.7
[M+HCOO]- 217.11083 160.5
[M+CH3COO]- 231.12648 173.8
[M+Na-2H]- 193.08730 148.1
[M]+ 172.11208 135.1
[M]- 172.11318 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe