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: 110
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	148.5
[M+Na]+	226.08722	156.6
[M+NH4]+	221.13182	156.0
[M+K]+	242.06116	152.4
[M-H]-	202.09072	147.9
[M+Na-2H]-	224.07267	150.3
[M]+	203.09745	149.7
[M]-	203.09855	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe