CID 2455012

1-[(5-chlorothien-2-yl)methyl]piperazine

Structural Information

Molecular Formula

C₉H₁₃ClN₂S

SMILES

C1CN(CCN1)CC2=CC=C(S2)Cl

InChI

InChI=1S/C9H13ClN2S/c10-9-2-1-8(13-9)7-12-5-3-11-4-6-12/h1-2,11H,3-7H2

InChIKey

NPDBVJVCPISXFL-UHFFFAOYSA-N

Compound name

1-[(5-chlorothiophen-2-yl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 216.0488 Da
Monoisotopic Mass: 1.8
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]+	217.05608	145.2
[M+Na]+	239.03802	157.1
[M+NH4]+	234.08262	154.7
[M+K]+	255.01196	149.4
[M-H]-	215.04152	148.0
[M+Na-2H]-	237.02347	151.0
[M]+	216.04825	148.3
[M]-	216.04935	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe