CID 70984635

8-methanesulfonyl-8-azabicyclo[3.2.1]octan-3-one

Structural Information

Molecular Formula
C8H13NO3S
SMILES
CS(=O)(=O)N1C2CCC1CC(=O)C2
InChI
InChI=1S/C8H13NO3S/c1-13(11,12)9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3
InChIKey
NIHTWNYVIFCTAN-UHFFFAOYSA-N
Compound name
8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.06161 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06889 143.4
[M+Na]+ 226.05083 151.9
[M+NH4]+ 221.09543 151.3
[M+K]+ 242.02477 147.5
[M-H]- 202.05433 141.9
[M+Na-2H]- 224.03628 143.8
[M]+ 203.06106 144.3
[M]- 203.06216 144.3
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