CID 59389

C 3156

Structural Information

Molecular Formula

C₁₃H₁₉ClN₂O

SMILES

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

InChI

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

InChIKey

OFEFSKDZXMNIBA-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-2-(2-methylpropylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	160.0
[M+Na]+	277.107808	166.5
[M-H]-	253.111314	163.5
[M+NH4]+	272.152413	177.7
[M+K]+	293.081748	162.4
[M+H-H2O]+	237.115850	154.3
[M+HCOO]-	299.116791	179.2
[M+CH3COO]-	313.132441	201.5
[M+Na-2H]-	275.093256	162.1
[M]+	254.11804142	162.1
[M]-	254.11913858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe