CID 146896

95969-40-7

Structural Information

Molecular Formula
C12H15NO
SMILES
C[N+]1(CCC(=CC1)C2=CC=CC=C2)[O-]
InChI
InChI=1S/C12H15NO/c1-13(14)9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChIKey
FZVSMNOAJGWONA-UHFFFAOYSA-N
Compound name
1-methyl-1-oxido-4-phenyl-3,6-dihydro-2H-pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

189.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 140.1
[M+Na]+ 212.104588 146.6
[M-H]- 188.108094 143.9
[M+NH4]+ 207.149193 159.4
[M+K]+ 228.078528 138.7
[M+H-H2O]+ 172.112630 138.0
[M+HCOO]- 234.113571 160.2
[M+CH3COO]- 248.129221 172.5
[M+Na-2H]- 210.090036 148.8
[M]+ 189.11482142 134.2
[M]- 189.11591858 134.2
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

No patent data available for this compound.