CID 3070021

85607-42-7

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

C1CN(C(C(=O)N1)C2=CC=CS2)CCO

InChI

InChI=1S/C10H14N2O2S/c13-6-5-12-4-3-11-10(14)9(12)8-2-1-7-15-8/h1-2,7,9,13H,3-6H2,(H,11,14)

InChIKey

AKCSDYAJUUUAAU-UHFFFAOYSA-N

Compound name

4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 226.0776 Da
Monoisotopic Mass: 0.1
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	149.7
[M+Na]+	249.066818	156.6
[M-H]-	225.070324	150.9
[M+NH4]+	244.111423	166.2
[M+K]+	265.040758	152.2
[M+H-H2O]+	209.074860	142.9
[M+HCOO]-	271.075801	161.9
[M+CH3COO]-	285.091451	180.5
[M+Na-2H]-	247.052266	148.9
[M]+	226.07705142	146.6
[M]-	226.07814858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe