CID 5083386

N-benzyl-4-methoxy-n,n-dimethyl-4-oxo-1-butanaminium iodide

Structural Information

Molecular Formula
C14H22NO2
SMILES
C[N+](C)(CCCC(=O)OC)CC1=CC=CC=C1
InChI
InChI=1S/C14H22NO2/c1-15(2,11-7-10-14(16)17-3)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3/q+1
InChIKey
KIOHYLICZDULIR-UHFFFAOYSA-N
Compound name
benzyl-(4-methoxy-4-oxobutyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.16505 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.17233 154.3
[M+Na]+ 259.15427 167.3
[M+NH4]+ 254.19887 163.3
[M+K]+ 275.12821 161.4
[M-H]- 235.15777 158.2
[M+Na-2H]- 257.13972 161.9
[M]+ 236.16450 157.6
[M]- 236.16560 157.6
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.