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

5
Patents

219.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 149.1
[M+Na]+ 242.115148 156.9
[M-H]- 218.118654 153.3
[M+NH4]+ 237.159753 168.0
[M+K]+ 258.089088 154.9
[M+H-H2O]+ 202.123190 143.2
[M+HCOO]- 264.124131 172.3
[M+CH3COO]- 278.139781 195.2
[M+Na-2H]- 240.100596 151.0
[M]+ 219.12538142 151.1
[M]- 219.12647858 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