CID 3060531

V 271

Structural Information

Molecular Formula

C₁₂H₁₇ClN₂O

SMILES

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

InChI

InChI=1S/C12H17ClN2O/c1-9-5-4-6-10(13)12(9)14-11(16)7-8-15(2)3/h4-6H,7-8H2,1-3H3,(H,14,16)

InChIKey

PFMJGWLQYFOUMT-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-3-(dimethylamino)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 240.10294 Da
Monoisotopic Mass: 1.2
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]+	241.110216	155.1
[M+Na]+	263.092158	162.4
[M-H]-	239.095664	160.1
[M+NH4]+	258.136763	174.0
[M+K]+	279.066098	159.4
[M+H-H2O]+	223.100200	149.2
[M+HCOO]-	285.101141	176.1
[M+CH3COO]-	299.116791	201.0
[M+Na-2H]-	261.077606	158.2
[M]+	240.10239142	158.7
[M]-	240.10348858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe