CID 418446

Piperidinium, 1-methyl-4-oxo-1-(phenylmethyl)-, bromide

Structural Information

Molecular Formula
C13H18NO
SMILES
C[N+]1(CCC(=O)CC1)CC2=CC=CC=C2
InChI
InChI=1S/C13H18NO/c1-14(9-7-13(15)8-10-14)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3/q+1
InChIKey
OXBUCKZAUJPPAG-UHFFFAOYSA-N
Compound name
1-benzyl-1-methylpiperidin-1-ium-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

204.13884 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14612 146.3
[M+Na]+ 227.12806 152.2
[M-H]- 203.13156 151.2
[M+NH4]+ 222.17266 165.5
[M+K]+ 243.10200 143.6
[M+H-H2O]+ 187.13610 141.6
[M+HCOO]- 249.13704 165.4
[M+CH3COO]- 263.15269 177.9
[M+Na-2H]- 225.11351 154.3
[M]+ 204.13829 140.9
[M]- 204.13939 140.9
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

patents stripe