CID 793589

N-mesityl-3-oxobutanamide

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CC(=O)C)C
InChI
InChI=1S/C13H17NO2/c1-8-5-9(2)13(10(3)6-8)14-12(16)7-11(4)15/h5-6H,7H2,1-4H3,(H,14,16)
InChIKey
GVBDGMRNGLFNRS-UHFFFAOYSA-N
Compound name
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.1
[M+Na]+ 242.11515 156.9
[M-H]- 218.11865 153.3
[M+NH4]+ 237.15975 168.0
[M+K]+ 258.08909 154.9
[M+H-H2O]+ 202.12319 143.2
[M+HCOO]- 264.12413 172.3
[M+CH3COO]- 278.13978 195.2
[M+Na-2H]- 240.10060 151.0
[M]+ 219.12538 151.1
[M]- 219.12648 151.1
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

patents stripe