CID 122236467

Methyl 5-(piperazin-1-yl)thiophene-2-carboxylate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

COC(=O)C1=CC=C(S1)N2CCNCC2

InChI

InChI=1S/C10H14N2O2S/c1-14-10(13)8-2-3-9(15-8)12-6-4-11-5-7-12/h2-3,11H,4-7H2,1H3

InChIKey

DAPAFSIBWDHRIC-UHFFFAOYSA-N

Compound name

methyl 5-piperazin-1-ylthiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.0776 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]+	227.084876	150.0
[M+Na]+	249.066818	156.2
[M-H]-	225.070324	152.4
[M+NH4]+	244.111423	166.9
[M+K]+	265.040758	153.3
[M+H-H2O]+	209.074860	142.8
[M+HCOO]-	271.075801	162.8
[M+CH3COO]-	285.091451	182.1
[M+Na-2H]-	247.052266	149.2
[M]+	226.07705142	147.7
[M]-	226.07814858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.