CID 145913657

2743228-37-5

Structural Information

Molecular Formula

C₁₀H₁₈ClNO₂S

SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)Cl)SC

InChI

InChI=1S/C10H18ClNO2S/c1-10(2,3)14-9(13)12-5-7(11)8(6-12)15-4/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1

InChIKey

WVKBZINDMBNOFY-HTQZYQBOSA-N

Compound name

tert-butyl (3R,4R)-3-chloro-4-methylsulfanylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.07468 Da
Monoisotopic Mass: 2.3
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]+	252.081956	157.6
[M+Na]+	274.063898	165.6
[M-H]-	250.067404	160.2
[M+NH4]+	269.108503	177.4
[M+K]+	290.037838	162.8
[M+H-H2O]+	234.071940	153.2
[M+HCOO]-	296.072881	166.7
[M+CH3COO]-	310.088531	190.0
[M+Na-2H]-	272.049346	155.7
[M]+	251.07413142	161.8
[M]-	251.07522858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.