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

197
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 146.0
[M+Na]+ 227.12806 161.6
[M+NH4]+ 222.17266 157.9
[M+K]+ 243.10200 152.1
[M-H]- 203.13156 152.0
[M+Na-2H]- 225.11351 156.8
[M]+ 204.13829 150.5
[M]- 204.13939 150.5
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