CID 146049188

Rac-tert-butyl (3r,4r)-3-amino-4-methanesulfonylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H20N2O4S
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)S(=O)(=O)C)N
InChI
InChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)12-5-7(11)8(6-12)17(4,14)15/h7-8H,5-6,11H2,1-4H3/t7-,8-/m1/s1
InChIKey
OZAUXLGLSGKFTL-HTQZYQBOSA-N
Compound name
tert-butyl (3R,4R)-3-amino-4-methylsulfonylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.11438 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12166 160.3
[M+Na]+ 287.10360 167.0
[M-H]- 263.10710 162.2
[M+NH4]+ 282.14820 177.7
[M+K]+ 303.07754 165.9
[M+H-H2O]+ 247.11164 155.2
[M+HCOO]- 309.11258 173.4
[M+CH3COO]- 323.12823 193.5
[M+Na-2H]- 285.08905 160.1
[M]+ 264.11383 161.9
[M]- 264.11493 161.9
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.