CID 292699

6391-98-6

Structural Information

Molecular Formula

C₉H₁₁NOS₂

SMILES

C1COCCN1C(=S)C2=CC=CS2

InChI

InChI=1S/C9H11NOS2/c12-9(8-2-1-7-13-8)10-3-5-11-6-4-10/h1-2,7H,3-6H2

InChIKey

QVHKXXQHVIOSMM-UHFFFAOYSA-N

Compound name

morpholin-4-yl(thiophen-2-yl)methanethione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 213.02821 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]+	214.03549	142.5
[M+Na]+	236.01743	152.9
[M+NH4]+	231.06203	152.2
[M+K]+	251.99137	145.1
[M-H]-	212.02093	147.2
[M+Na-2H]-	234.00288	147.2
[M]+	213.02766	146.2
[M]-	213.02876	146.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.