CID 80666882

3-bromo-1-methanesulfonylpyrrolidine

Structural Information

Molecular Formula
C5H10BrNO2S
SMILES
CS(=O)(=O)N1CCC(C1)Br
InChI
InChI=1S/C5H10BrNO2S/c1-10(8,9)7-3-2-5(6)4-7/h5H,2-4H2,1H3
InChIKey
LYGYJYCVIOQGHV-UHFFFAOYSA-N
Compound name
3-bromo-1-methylsulfonylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.96156 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96884 134.4
[M+Na]+ 249.95078 147.3
[M-H]- 225.95428 140.0
[M+NH4]+ 244.99538 157.6
[M+K]+ 265.92472 137.0
[M+H-H2O]+ 209.95882 135.6
[M+HCOO]- 271.95976 149.1
[M+CH3COO]- 285.97541 181.1
[M+Na-2H]- 247.93623 138.9
[M]+ 226.96101 153.6
[M]- 226.96211 153.6
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.