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]+ 197.998626 137.3
[M+Na]+ 219.980568 147.9
[M-H]- 195.984074 140.5
[M+NH4]+ 215.025173 158.8
[M+K]+ 235.954508 145.0
[M+H-H2O]+ 179.988610 133.5
[M+HCOO]- 241.989551 149.4
[M+CH3COO]- 256.005201 176.6
[M+Na-2H]- 217.966016 138.9
[M]+ 196.99080142 140.5
[M]- 196.99189858 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.