CID 4305829

2-(5-chloro-2-thienyl)pyrrolidine

Structural Information

Molecular Formula

C₈H₁₀ClNS

SMILES

C1CC(NC1)C2=CC=C(S2)Cl

InChI

InChI=1S/C8H10ClNS/c9-8-4-3-7(11-8)6-2-1-5-10-6/h3-4,6,10H,1-2,5H2

InChIKey

XMSYAIXTGCQRQX-UHFFFAOYSA-N

Compound name

2-(5-chlorothiophen-2-yl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 187.02225 Da
Monoisotopic Mass: 2.5
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]+	188.029526	140.4
[M+Na]+	210.011468	149.5
[M-H]-	186.014974	144.9
[M+NH4]+	205.056073	163.2
[M+K]+	225.985408	145.0
[M+H-H2O]+	170.019510	135.4
[M+HCOO]-	232.020451	153.0
[M+CH3COO]-	246.036101	153.5
[M+Na-2H]-	207.996916	139.3
[M]+	187.02170142	139.5
[M]-	187.02279858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe