CID 13324658

371240-66-3

Structural Information

Molecular Formula

C₉H₁₇NO₂S

SMILES

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

InChI

InChI=1S/C9H17NO2S/c1-9(2,3)12-8(11)10-5-4-7(13)6-10/h7,13H,4-6H2,1-3H3

InChIKey

QZVCJLUVFPPQLX-UHFFFAOYSA-N

Compound name

tert-butyl 3-sulfanylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 203.098 Da
Monoisotopic Mass: 1.6
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]+	204.10528	147.6
[M+Na]+	226.08722	154.7
[M-H]-	202.09072	150.0
[M+NH4]+	221.13182	168.2
[M+K]+	242.06116	154.0
[M+H-H2O]+	186.09526	142.4
[M+HCOO]-	248.09620	161.6
[M+CH3COO]-	262.11185	182.0
[M+Na-2H]-	224.07267	147.2
[M]+	203.09745	149.5
[M]-	203.09855	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe