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]+ 164.03760 132.3
[M+Na]+ 186.01954 141.0
[M-H]- 162.02304 133.6
[M+NH4]+ 181.06414 153.3
[M+K]+ 201.99348 138.9
[M+H-H2O]+ 146.02758 127.7
[M+HCOO]- 208.02852 147.5
[M+CH3COO]- 222.04417 168.9
[M+Na-2H]- 184.00499 134.4
[M]+ 163.02977 131.6
[M]- 163.03087 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.