CID 21064653

1-(3,3-dimethylbutanoyl)piperidin-4-one

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC(C)(C)CC(=O)N1CCC(=O)CC1
InChI
InChI=1S/C11H19NO2/c1-11(2,3)8-10(14)12-6-4-9(13)5-7-12/h4-8H2,1-3H3
InChIKey
SCAXEUDMNMTWHW-UHFFFAOYSA-N
Compound name
1-(3,3-dimethylbutanoyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

197.14159 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 146.1
[M+Na]+ 220.130808 151.4
[M-H]- 196.134314 147.6
[M+NH4]+ 215.175413 164.2
[M+K]+ 236.104748 150.4
[M+H-H2O]+ 180.138850 140.2
[M+HCOO]- 242.139791 162.7
[M+CH3COO]- 256.155441 184.3
[M+Na-2H]- 218.116256 149.2
[M]+ 197.14104142 143.6
[M]- 197.14213858 143.6
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