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 158.9
[M-H]- 238.06402 156.6
[M+NH4]+ 257.10512 170.5
[M+K]+ 278.03446 156.4
[M+H-H2O]+ 222.06856 146.1
[M+HCOO]- 284.06950 171.2
[M+CH3COO]- 298.08515 196.9
[M+Na-2H]- 260.04597 154.2
[M]+ 239.07075 155.9
[M]- 239.07185 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.