CID 2393544

4-morpholinecarbothioamide

Structural Information

Molecular Formula

C₅H₁₀N₂OS

SMILES

C1COCCN1C(=S)N

InChI

InChI=1S/C5H10N2OS/c6-5(9)7-1-3-8-4-2-7/h1-4H2,(H2,6,9)

InChIKey

GSLBUBZXFUYMSW-UHFFFAOYSA-N

Compound name

morpholine-4-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 430
Patents: 146.05139 Da
Monoisotopic Mass: -0.6
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]+	147.058666	129.2
[M+Na]+	169.040608	134.7
[M-H]-	145.044114	131.1
[M+NH4]+	164.085213	147.6
[M+K]+	185.014548	134.2
[M+H-H2O]+	129.048650	122.9
[M+HCOO]-	191.049591	143.1
[M+CH3COO]-	205.065241	172.2
[M+Na-2H]-	167.026056	132.1
[M]+	146.05084142	124.8
[M]-	146.05193858	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe