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

10
Patents

197.14159 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 146.1
[M+Na]+ 220.13081 151.4
[M-H]- 196.13431 147.6
[M+NH4]+ 215.17541 164.2
[M+K]+ 236.10475 150.4
[M+H-H2O]+ 180.13885 140.2
[M+HCOO]- 242.13979 162.7
[M+CH3COO]- 256.15544 184.3
[M+Na-2H]- 218.11626 149.2
[M]+ 197.14104 143.6
[M]- 197.14214 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