CID 75751

N-methyl-3-oxo-n-phenylbutanamide

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC(=O)CC(=O)N(C)C1=CC=CC=C1
InChI
InChI=1S/C11H13NO2/c1-9(13)8-11(14)12(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey
IQYZGBSHBFRNED-UHFFFAOYSA-N
Compound name
N-methyl-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

191.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.7
[M+Na]+ 214.083858 147.6
[M-H]- 190.087364 146.6
[M+NH4]+ 209.128463 161.3
[M+K]+ 230.057798 147.4
[M+H-H2O]+ 174.091900 135.2
[M+HCOO]- 236.092841 166.0
[M+CH3COO]- 250.108491 189.0
[M+Na-2H]- 212.069306 145.9
[M]+ 191.09409142 143.0
[M]- 191.09518858 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe