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]+	188.02953	138.2
[M+Na]+	210.01147	149.3
[M+NH4]+	205.05607	148.4
[M+K]+	225.98541	143.7
[M-H]-	186.01497	141.1
[M+Na-2H]-	207.99692	143.6
[M]+	187.02170	141.2
[M]-	187.02280	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe