CID 2771741

85803-50-5

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂S

SMILES

CCOC(=O)N1CCNC(C1)C2=CC=CS2

InChI

InChI=1S/C11H16N2O2S/c1-2-15-11(14)13-6-5-12-9(8-13)10-4-3-7-16-10/h3-4,7,9,12H,2,5-6,8H2,1H3

InChIKey

YNIWHEQLSSKQCX-UHFFFAOYSA-N

Compound name

ethyl 3-thiophen-2-ylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 240.09325 Da
Monoisotopic Mass: 1.1
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]+	241.10053	154.6
[M+Na]+	263.08247	160.4
[M-H]-	239.08597	156.9
[M+NH4]+	258.12707	171.0
[M+K]+	279.05641	157.3
[M+H-H2O]+	223.09051	147.3
[M+HCOO]-	285.09145	167.1
[M+CH3COO]-	299.10710	184.4
[M+Na-2H]-	261.06792	153.3
[M]+	240.09270	152.6
[M]-	240.09380	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe