CID 155819794

2470279-92-4

Structural Information

Molecular Formula

C₅H₁₀ClNS

SMILES

CS[C@@H]1CNC[C@@H]1Cl

InChI

InChI=1S/C5H10ClNS/c1-8-5-3-7-2-4(5)6/h4-5,7H,2-3H2,1H3/t4-,5+/m0/s1

InChIKey

FUZVCKMEPLZFBV-CRCLSJGQSA-N

Compound name

(3S,4R)-3-chloro-4-methylsulfanylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 151.02225 Da
Monoisotopic Mass: 0.9
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]+	152.02953	129.4
[M+Na]+	174.01147	140.0
[M+NH4]+	169.05607	139.1
[M+K]+	189.98541	133.3
[M-H]-	150.01497	130.5
[M+Na-2H]-	171.99692	133.1
[M]+	151.02170	131.8
[M]-	151.02280	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.