CID 213683

Fla 8

Structural Information

Molecular Formula

C₈H₁₄N₂S₂

SMILES

C=CCN1CCN(CC1)C(=S)S

InChI

InChI=1S/C8H14N2S2/c1-2-3-9-4-6-10(7-5-9)8(11)12/h2H,1,3-7H2,(H,11,12)

InChIKey

UOHVGMNQYLLCLI-UHFFFAOYSA-N

Compound name

4-prop-2-enylpiperazine-1-carbodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.05984 Da
Monoisotopic Mass: 1.4
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]+	203.06712	141.1
[M+Na]+	225.04906	147.5
[M-H]-	201.05256	141.1
[M+NH4]+	220.09366	158.3
[M+K]+	241.02300	143.3
[M+H-H2O]+	185.05710	134.6
[M+HCOO]-	247.05804	147.5
[M+CH3COO]-	261.07369	183.1
[M+Na-2H]-	223.03451	139.3
[M]+	202.05929	138.7
[M]-	202.06039	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe