CID 45926085

3-(methylsulfonyl)-6-oxa-3-azabicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C5H9NO3S
SMILES
CS(=O)(=O)N1CC2C(C1)O2
InChI
InChI=1S/C5H9NO3S/c1-10(7,8)6-2-4-5(3-6)9-4/h4-5H,2-3H2,1H3
InChIKey
RCADBPVEUXADKB-UHFFFAOYSA-N
Compound name
3-methylsulfonyl-6-oxa-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

163.03032 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03760 132.6
[M+Na]+ 186.01954 144.2
[M-H]- 162.02304 137.7
[M+NH4]+ 181.06414 149.4
[M+K]+ 201.99348 142.9
[M+H-H2O]+ 146.02758 127.7
[M+HCOO]- 208.02852 148.1
[M+CH3COO]- 222.04417 176.2
[M+Na-2H]- 184.00499 137.9
[M]+ 163.02977 138.8
[M]- 163.03087 138.8
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