CID 2450175

851175-23-0

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

CC1=CC=CC=C1CN(C)C(=O)CCl

InChI

InChI=1S/C11H14ClNO/c1-9-5-3-4-6-10(9)8-13(2)11(14)7-12/h3-6H,7-8H2,1-2H3

InChIKey

OPKQDGDFVIAJGX-UHFFFAOYSA-N

Compound name

2-chloro-N-methyl-N-[(2-methylphenyl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.07639 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]+	212.083666	145.6
[M+Na]+	234.065608	153.3
[M-H]-	210.069114	150.5
[M+NH4]+	229.110213	165.8
[M+K]+	250.039548	150.5
[M+H-H2O]+	194.073650	140.1
[M+HCOO]-	256.074591	165.9
[M+CH3COO]-	270.090241	191.9
[M+Na-2H]-	232.051056	149.8
[M]+	211.07584142	149.2
[M]-	211.07693858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.