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

4
Patents

163.03032 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.037596 132.6
[M+Na]+ 186.019538 144.2
[M-H]- 162.023044 137.7
[M+NH4]+ 181.064143 149.4
[M+K]+ 201.993478 142.9
[M+H-H2O]+ 146.027580 127.7
[M+HCOO]- 208.028521 148.1
[M+CH3COO]- 222.044171 176.2
[M+Na-2H]- 184.004986 137.9
[M]+ 163.02977142 138.8
[M]- 163.03086858 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