CID 12131491

N-[(3-chlorophenyl)methyl]-n-methyl-3-oxobutanamide

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

CC(=O)CC(=O)N(C)CC1=CC(=CC=C1)Cl

InChI

InChI=1S/C12H14ClNO2/c1-9(15)6-12(16)14(2)8-10-4-3-5-11(13)7-10/h3-5,7H,6,8H2,1-2H3

InChIKey

OESFWZNQDAJVBD-UHFFFAOYSA-N

Compound name

N-[(3-chlorophenyl)methyl]-N-methyl-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.0713 Da
Monoisotopic Mass: 1.7
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]+	240.078576	151.6
[M+Na]+	262.060518	158.9
[M-H]-	238.064024	156.6
[M+NH4]+	257.105123	170.5
[M+K]+	278.034458	156.4
[M+H-H2O]+	222.068560	146.1
[M+HCOO]-	284.069501	171.2
[M+CH3COO]-	298.085151	196.9
[M+Na-2H]-	260.045966	154.2
[M]+	239.07075142	155.9
[M]-	239.07184858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.