CID 130787450

20182-97-2

Structural Information

Molecular Formula
C5H9NO3S
SMILES
CS(=O)(=O)[C@H]1CC(=O)NC1
InChI
InChI=1S/C5H9NO3S/c1-10(8,9)4-2-5(7)6-3-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKey
IHKYZPANJHOFNU-BYPYZUCNSA-N
Compound name
(4S)-4-methylsulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.03032 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.037596 132.3
[M+Na]+ 186.019538 141.0
[M-H]- 162.023044 133.6
[M+NH4]+ 181.064143 153.3
[M+K]+ 201.993478 138.9
[M+H-H2O]+ 146.027580 127.7
[M+HCOO]- 208.028521 147.5
[M+CH3COO]- 222.044171 168.9
[M+Na-2H]- 184.004986 134.4
[M]+ 163.02977142 131.6
[M]- 163.03086858 131.6
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.