CID 2463177

851208-08-7

Structural Information

Molecular Formula

C₉H₁₂N₂OS

SMILES

C1CN(CCN1)C2=CC=C(S2)C=O

InChI

InChI=1S/C9H12N2OS/c12-7-8-1-2-9(13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2

InChIKey

HWRCNHFGKABYGW-UHFFFAOYSA-N

Compound name

5-piperazin-1-ylthiophene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 196.06703 Da
Monoisotopic Mass: 1.2
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]+	197.07431	142.5
[M+Na]+	219.05625	153.1
[M+NH4]+	214.10085	151.0
[M+K]+	235.03019	146.8
[M-H]-	195.05975	144.6
[M+Na-2H]-	217.04170	147.7
[M]+	196.06648	144.8
[M]-	196.06758	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe