CID 66392863

1508092-53-2

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]+ 212.01427 140.3
[M+Na]+ 233.99621 149.3
[M-H]- 209.99971 142.6
[M+NH4]+ 229.04081 161.4
[M+K]+ 249.97015 147.8
[M+H-H2O]+ 194.00425 137.1
[M+HCOO]- 256.00519 148.2
[M+CH3COO]- 270.02084 178.7
[M+Na-2H]- 231.98166 145.4
[M]+ 211.00644 143.2
[M]- 211.00754 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.