CID 22924269

128914-77-2

Structural Information

Molecular Formula

C₆H₁₄N₂S

SMILES

C1CN(CCN1)CCS

InChI

InChI=1S/C6H14N2S/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2

InChIKey

YVSRIHGPYPFMRQ-UHFFFAOYSA-N

Compound name

2-piperazin-1-ylethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 146.08777 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]+	147.09505	130.8
[M+Na]+	169.07699	136.3
[M-H]-	145.08049	129.5
[M+NH4]+	164.12159	149.2
[M+K]+	185.05093	134.0
[M+H-H2O]+	129.08503	124.2
[M+HCOO]-	191.08597	142.7
[M+CH3COO]-	205.10162	170.0
[M+Na-2H]-	167.06244	133.5
[M]+	146.08722	126.7
[M]-	146.08832	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe