CID 43652748

2,2-dimethyl-n-(4-oxocyclohexyl)propanamide

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC(C)(C)C(=O)NC1CCC(=O)CC1
InChI
InChI=1S/C11H19NO2/c1-11(2,3)10(14)12-8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,12,14)
InChIKey
WQBCEFNNFJDTIJ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-N-(4-oxocyclohexyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 145.6
[M+Na]+ 220.130808 150.0
[M-H]- 196.134314 148.5
[M+NH4]+ 215.175413 164.7
[M+K]+ 236.104748 149.0
[M+H-H2O]+ 180.138850 140.3
[M+HCOO]- 242.139791 164.5
[M+CH3COO]- 256.155441 186.6
[M+Na-2H]- 218.116256 149.0
[M]+ 197.14104142 141.8
[M]- 197.14213858 141.8
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

No patent data available for this compound.