CID 4178

Mexiletine

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC1=C(C(=CC=C1)C)OCC(C)N

InChI

InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3

InChIKey

VLPIATFUUWWMKC-UHFFFAOYSA-N

Compound name

1-(2,6-dimethylphenoxy)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1812
References: 26187
Patents: 179.13101 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.13829	140.4
[M+Na]+	202.12023	152.4
[M+NH4]+	197.16483	149.0
[M+K]+	218.09417	146.2
[M-H]-	178.12373	143.3
[M+Na-2H]-	200.10568	146.7
[M]+	179.13046	142.9
[M]-	179.13156	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe