CID 66770662

2375248-23-8

Structural Information

Molecular Formula
C7H13NO4S
SMILES
COC(=O)[C@@H]1C[C@H](CN1)S(=O)(=O)C
InChI
InChI=1S/C7H13NO4S/c1-12-7(9)6-3-5(4-8-6)13(2,10)11/h5-6,8H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKey
LABLQHSDOVOABF-RITPCOANSA-N
Compound name
methyl (2S,4R)-4-methylsulfonylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

207.05653 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063806 144.0
[M+Na]+ 230.045748 151.4
[M-H]- 206.049254 145.0
[M+NH4]+ 225.090353 163.2
[M+K]+ 246.019688 149.9
[M+H-H2O]+ 190.053790 139.1
[M+HCOO]- 252.054731 157.9
[M+CH3COO]- 266.070381 177.3
[M+Na-2H]- 228.031196 144.5
[M]+ 207.05598142 144.8
[M]- 207.05707858 144.8
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

patents stripe