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

46
Patents

205.07727 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.084546 142.5
[M+Na]+ 228.066488 148.9
[M-H]- 204.069994 144.4
[M+NH4]+ 223.111093 160.5
[M+K]+ 244.040428 147.5
[M+H-H2O]+ 188.074530 136.9
[M+HCOO]- 250.075471 155.2
[M+CH3COO]- 264.091121 181.8
[M+Na-2H]- 226.051936 144.2
[M]+ 205.07672142 142.0
[M]- 205.07781858 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