CID 155821761

2460740-41-2

Structural Information

Molecular Formula
C7H15NO3S
SMILES
CO[C@@H]1C[C@@H](NC1)CS(=O)(=O)C
InChI
InChI=1S/C7H15NO3S/c1-11-7-3-6(8-4-7)5-12(2,9)10/h6-8H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKey
FDOBIKASJROJSJ-RNFRBKRXSA-N
Compound name
(2R,4R)-4-methoxy-2-(methylsulfonylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.07727 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08455 141.9
[M+Na]+ 216.06649 149.5
[M-H]- 192.06999 142.8
[M+NH4]+ 211.11109 161.9
[M+K]+ 232.04043 147.6
[M+H-H2O]+ 176.07453 136.9
[M+HCOO]- 238.07547 156.4
[M+CH3COO]- 252.09112 175.9
[M+Na-2H]- 214.05194 143.2
[M]+ 193.07672 142.7
[M]- 193.07782 142.7
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.