CID 45934262

885272-63-9

Structural Information

Molecular Formula

C₆H₁₂N₂OS

SMILES

CN1CCOC(C1)C(=S)N

InChI

InChI=1S/C6H12N2OS/c1-8-2-3-9-5(4-8)6(7)10/h5H,2-4H2,1H3,(H2,7,10)

InChIKey

YFDDUHUGDQGEAN-UHFFFAOYSA-N

Compound name

4-methylmorpholine-2-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 160.06703 Da
Monoisotopic Mass: -0.5
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]+	161.07431	133.4
[M+Na]+	183.05625	139.3
[M-H]-	159.05975	135.4
[M+NH4]+	178.10085	151.4
[M+K]+	199.03019	138.4
[M+H-H2O]+	143.06429	127.1
[M+HCOO]-	205.06523	146.8
[M+CH3COO]-	219.08088	177.0
[M+Na-2H]-	181.04170	135.1
[M]+	160.06648	129.8
[M]-	160.06758	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.