CID 121553054

1-methyl-5-oxopyrrolidine-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H8ClNO3S
SMILES
CN1CC(CC1=O)S(=O)(=O)Cl
InChI
InChI=1S/C5H8ClNO3S/c1-7-3-4(2-5(7)8)11(6,9)10/h4H,2-3H2,1H3
InChIKey
MYZUGMYQISZHEI-UHFFFAOYSA-N
Compound name
1-methyl-5-oxopyrrolidine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.99135 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.99863 137.3
[M+Na]+ 219.98057 147.9
[M-H]- 195.98407 140.5
[M+NH4]+ 215.02517 158.8
[M+K]+ 235.95451 145.0
[M+H-H2O]+ 179.98861 133.5
[M+HCOO]- 241.98955 149.4
[M+CH3COO]- 256.00520 176.6
[M+Na-2H]- 217.96602 138.9
[M]+ 196.99080 140.5
[M]- 196.99190 140.5
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.