CID 66392863

8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H10ClNO3S
SMILES
C1CC2CN(CC1O2)S(=O)(=O)Cl
InChI
InChI=1S/C6H10ClNO3S/c7-12(9,10)8-3-5-1-2-6(4-8)11-5/h5-6H,1-4H2
InChIKey
NEWODARBPUBMBR-UHFFFAOYSA-N
Compound name
8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.00699 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.014266 140.3
[M+Na]+ 233.996208 149.3
[M-H]- 209.999714 142.6
[M+NH4]+ 229.040813 161.4
[M+K]+ 249.970148 147.8
[M+H-H2O]+ 194.004250 137.1
[M+HCOO]- 256.005191 148.2
[M+CH3COO]- 270.020841 178.7
[M+Na-2H]- 231.981656 145.4
[M]+ 211.00644142 143.2
[M]- 211.00753858 143.2
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

No patent data available for this compound.