CID 3003140

Pyrrolidin-1-yl carbamodithioate

Structural Information

Molecular Formula

C₅H₁₀N₂S₂

SMILES

C1CCN(C1)SC(=S)N

InChI

InChI=1S/C5H10N2S2/c6-5(8)9-7-3-1-2-4-7/h1-4H2,(H2,6,8)

InChIKey

LGIWQUXJCCGZOC-UHFFFAOYSA-N

Compound name

pyrrolidin-1-yl carbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 162.02853 Da
Monoisotopic Mass: 1.0
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]+	163.03581	132.1
[M+Na]+	185.01775	139.1
[M-H]-	161.02125	133.4
[M+NH4]+	180.06235	153.3
[M+K]+	200.99169	136.0
[M+H-H2O]+	145.02579	126.3
[M+HCOO]-	207.02673	142.8
[M+CH3COO]-	221.04238	175.1
[M+Na-2H]-	183.00320	130.4
[M]+	162.02798	129.1
[M]-	162.02908	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.