CID 201250

1-piperazinecarbodithioic acid, 4-propyl-, sodium salt

Structural Information

Molecular Formula

C₈H₁₆N₂S₂

SMILES

CCCN1CCN(CC1)C(=S)S

InChI

InChI=1S/C8H16N2S2/c1-2-3-9-4-6-10(7-5-9)8(11)12/h2-7H2,1H3,(H,11,12)

InChIKey

XSHAMYYHDWYMQR-UHFFFAOYSA-N

Compound name

4-propylpiperazine-1-carbodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.07549 Da
Monoisotopic Mass: 1.6
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]+	205.08277	144.1
[M+Na]+	227.06471	153.7
[M+NH4]+	222.10931	152.7
[M+K]+	243.03865	144.1
[M-H]-	203.06821	145.3
[M+Na-2H]-	225.05016	146.8
[M]+	204.07494	146.6
[M]-	204.07604	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe