CID 3047332

Propionamide, 2-amino-n-(p-chloro-alpha,alpha-dimethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉ClN₂O

SMILES

CC(C(=O)NC(C)(C)CC1=CC=C(C=C1)Cl)N

InChI

InChI=1S/C13H19ClN2O/c1-9(15)12(17)16-13(2,3)8-10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3,(H,16,17)

InChIKey

ZNGZJIRQZDJUQR-UHFFFAOYSA-N

Compound name

2-amino-N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 254.11859 Da
Monoisotopic Mass: 2.2
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]+	255.125866	160.1
[M+Na]+	277.107808	166.1
[M-H]-	253.111314	163.1
[M+NH4]+	272.152413	177.4
[M+K]+	293.081748	162.1
[M+H-H2O]+	237.115850	154.8
[M+HCOO]-	299.116791	177.2
[M+CH3COO]-	313.132441	200.0
[M+Na-2H]-	275.093256	162.7
[M]+	254.11804142	160.4
[M]-	254.11913858	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe