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 155.4
[M+Na]+ 259.15427 160.7
[M-H]- 235.15777 160.1
[M+NH4]+ 254.19887 173.6
[M+K]+ 275.12821 154.0
[M+H-H2O]+ 219.16231 151.7
[M+HCOO]- 281.16325 178.5
[M+CH3COO]- 295.17890 190.7
[M+Na-2H]- 257.13972 163.6
[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.