CID 57941097

1-(1-(methylsulfonyl)piperidin-4-yl)ethanone

Structural Information

Molecular Formula
C8H15NO3S
SMILES
CC(=O)C1CCN(CC1)S(=O)(=O)C
InChI
InChI=1S/C8H15NO3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h8H,3-6H2,1-2H3
InChIKey
LZIRKRXTWVPKQZ-UHFFFAOYSA-N
Compound name
1-(1-methylsulfonylpiperidin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

205.07727 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08455 142.5
[M+Na]+ 228.06649 148.9
[M-H]- 204.06999 144.4
[M+NH4]+ 223.11109 160.5
[M+K]+ 244.04043 147.5
[M+H-H2O]+ 188.07453 136.9
[M+HCOO]- 250.07547 155.2
[M+CH3COO]- 264.09112 181.8
[M+Na-2H]- 226.05194 144.2
[M]+ 205.07672 142.0
[M]- 205.07782 142.0
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