CID 3052962

3-dimethylcarbamoyloxy-1-phenethylpyridinium bromide

Structural Information

Molecular Formula
C16H19N2O2
SMILES
CN(C)C(=O)OC1=C[N+](=CC=C1)CCC2=CC=CC=C2
InChI
InChI=1S/C16H19N2O2/c1-17(2)16(19)20-15-9-6-11-18(13-15)12-10-14-7-4-3-5-8-14/h3-9,11,13H,10,12H2,1-2H3/q+1
InChIKey
VSCVXWOPRIYMFY-UHFFFAOYSA-N
Compound name
[1-(2-phenylethyl)pyridin-1-ium-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14465 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15193 161.7
[M+Na]+ 294.13387 177.2
[M+NH4]+ 289.17847 170.6
[M+K]+ 310.10781 170.7
[M-H]- 270.13737 167.9
[M+Na-2H]- 292.11932 171.9
[M]+ 271.14410 166.0
[M]- 271.14520 166.0
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.