CID 567741

Mexiletine acetate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1=C(C(=CC=C1)C)OCC(C)NC(=O)C
InChI
InChI=1S/C13H19NO2/c1-9-6-5-7-10(2)13(9)16-8-11(3)14-12(4)15/h5-7,11H,8H2,1-4H3,(H,14,15)
InChIKey
DNSFMKGQWLZMOJ-UHFFFAOYSA-N
Compound name
N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

221.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 151.6
[M+Na]+ 244.130808 158.1
[M-H]- 220.134314 155.4
[M+NH4]+ 239.175413 170.1
[M+K]+ 260.104748 156.7
[M+H-H2O]+ 204.138850 145.3
[M+HCOO]- 266.139791 174.6
[M+CH3COO]- 280.155441 194.8
[M+Na-2H]- 242.116256 154.1
[M]+ 221.14104142 153.8
[M]- 221.14213858 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe