CID 4860905

N-aminomorpholine-4-carbothioamide

Structural Information

Molecular Formula

C₅H₁₁N₃OS

SMILES

C1COCCN1C(=S)NN

InChI

InChI=1S/C5H11N3OS/c6-7-5(10)8-1-3-9-4-2-8/h1-4,6H2,(H,7,10)

InChIKey

ACWSTHNVQZSSGQ-UHFFFAOYSA-N

Compound name

morpholine-4-carbothiohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 161.06229 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]+	162.069566	133.1
[M+Na]+	184.051508	137.8
[M-H]-	160.055014	134.8
[M+NH4]+	179.096113	150.5
[M+K]+	200.025448	137.0
[M+H-H2O]+	144.059550	126.3
[M+HCOO]-	206.060491	147.9
[M+CH3COO]-	220.076141	176.5
[M+Na-2H]-	182.036956	136.5
[M]+	161.06174142	127.8
[M]-	161.06283858	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe