CID 1493878

89984-45-2

Structural Information

Molecular Formula

C₇H₁₂N₂O₂S

SMILES

C1COCCN1C(=O)CC(=S)N

InChI

InChI=1S/C7H12N2O2S/c8-6(12)5-7(10)9-1-3-11-4-2-9/h1-5H2,(H2,8,12)

InChIKey

WNKGERRTWOSDEM-UHFFFAOYSA-N

Compound name

3-morpholin-4-yl-3-oxopropanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.06195 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]+	189.06923	140.7
[M+Na]+	211.05117	148.6
[M+NH4]+	206.09577	147.7
[M+K]+	227.02511	143.2
[M-H]-	187.05467	142.3
[M+Na-2H]-	209.03662	142.8
[M]+	188.06140	142.3
[M]-	188.06250	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.