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]+ 204.068886 142.4
[M+Na]+ 226.050828 150.9
[M-H]- 202.054334 144.0
[M+NH4]+ 221.095433 164.4
[M+K]+ 242.024768 149.0
[M+H-H2O]+ 186.058870 138.4
[M+HCOO]- 248.059811 155.2
[M+CH3COO]- 262.075461 181.1
[M+Na-2H]- 224.036276 145.7
[M]+ 203.06106142 143.5
[M]- 203.06215858 143.5
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