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 142.4
[M+Na]+ 226.05083 150.9
[M-H]- 202.05433 144.0
[M+NH4]+ 221.09543 164.4
[M+K]+ 242.02477 149.0
[M+H-H2O]+ 186.05887 138.4
[M+HCOO]- 248.05981 155.2
[M+CH3COO]- 262.07546 181.1
[M+Na-2H]- 224.03628 145.7
[M]+ 203.06106 143.5
[M]- 203.06216 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