CID 4639192

N-benzyl-2-chloro-n-methylacetamide

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

CN(CC1=CC=CC=C1)C(=O)CCl

InChI

InChI=1S/C10H12ClNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChIKey

CRKXYFYKAPEYAC-UHFFFAOYSA-N

Compound name

N-benzyl-2-chloro-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 197.06075 Da
Monoisotopic Mass: 1.8
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]+	198.06803	141.5
[M+Na]+	220.04997	148.7
[M-H]-	196.05347	146.3
[M+NH4]+	215.09457	162.0
[M+K]+	236.02391	146.2
[M+H-H2O]+	180.05801	136.0
[M+HCOO]-	242.05895	162.2
[M+CH3COO]-	256.07460	187.8
[M+Na-2H]-	218.03542	147.0
[M]+	197.06020	144.4
[M]-	197.06130	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe