CID 4868340

2-chloro-n-[(4-methoxyphenyl)methyl]-n-methylacetamide

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

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

InChI

InChI=1S/C11H14ClNO2/c1-13(11(14)7-12)8-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3

InChIKey

RLSMTAIXCJTUHH-UHFFFAOYSA-N

Compound name

2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 227.0713 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]+	228.078576	148.5
[M+Na]+	250.060518	156.1
[M-H]-	226.064024	153.5
[M+NH4]+	245.105123	168.0
[M+K]+	266.034458	154.0
[M+H-H2O]+	210.068560	142.9
[M+HCOO]-	272.069501	169.1
[M+CH3COO]-	286.085151	193.9
[M+Na-2H]-	248.045966	152.8
[M]+	227.07075142	153.6
[M]-	227.07184858	153.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.