CID 4655877

Methyl 4-morpholinylcarbothioylcarbamate

Structural Information

Molecular Formula

C₇H₁₂N₂O₃S

SMILES

COC(=O)NC(=S)N1CCOCC1

InChI

InChI=1S/C7H12N2O3S/c1-11-7(10)8-6(13)9-2-4-12-5-3-9/h2-5H2,1H3,(H,8,10,13)

InChIKey

YGHZWZGKSAPRDM-UHFFFAOYSA-N

Compound name

methyl N-(morpholine-4-carbothioyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 204.05687 Da
Monoisotopic Mass: 0.0
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]+	205.064146	143.9
[M+Na]+	227.046088	148.5
[M-H]-	203.049594	146.1
[M+NH4]+	222.090693	160.2
[M+K]+	243.020028	148.7
[M+H-H2O]+	187.054130	137.1
[M+HCOO]-	249.055071	157.4
[M+CH3COO]-	263.070721	181.2
[M+Na-2H]-	225.031536	146.0
[M]+	204.05632142	142.6
[M]-	204.05741858	142.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.