CID 12131481

N-[(2-chlorophenyl)methyl]-n-methyl-3-oxobutanamide

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
CC(=O)CC(=O)N(C)CC1=CC=CC=C1Cl
InChI
InChI=1S/C12H14ClNO2/c1-9(15)7-12(16)14(2)8-10-5-3-4-6-11(10)13/h3-6H,7-8H2,1-2H3
InChIKey
YZNLWPKFBLUTMR-UHFFFAOYSA-N
Compound name
N-[(2-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 151.6
[M+Na]+ 262.06052 163.6
[M+NH4]+ 257.10512 159.4
[M+K]+ 278.03446 157.6
[M-H]- 238.06402 153.6
[M+Na-2H]- 260.04597 157.6
[M]+ 239.07075 154.0
[M]- 239.07185 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.