CID 4139999

141699-57-2

Structural Information

Molecular Formula

C₁₀H₁₉NO₅S

SMILES

CC(C)(C)OC(=O)N1CCC(C1)OS(=O)(=O)C

InChI

InChI=1S/C10H19NO5S/c1-10(2,3)15-9(12)11-6-5-8(7-11)16-17(4,13)14/h8H,5-7H2,1-4H3

InChIKey

KWQRKOSMSFLBTJ-UHFFFAOYSA-N

Compound name

tert-butyl 3-methylsulfonyloxypyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1465
Patents: 265.0984 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.10568	161.1
[M+Na]+	288.08762	167.1
[M+NH4]+	283.13222	165.7
[M+K]+	304.06156	165.4
[M-H]-	264.09112	157.6
[M+Na-2H]-	286.07307	161.2
[M]+	265.09785	160.9
[M]-	265.09895	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe