CID 94627

68310-86-1

Structural Information

Molecular Formula

C₉H₁₈N₂OS₂

SMILES

CC(C)(C)NSC(=S)N1CCOCC1

InChI

InChI=1S/C9H18N2OS2/c1-9(2,3)10-14-8(13)11-4-6-12-7-5-11/h10H,4-7H2,1-3H3

InChIKey

SXJUCAYPPGXJEK-UHFFFAOYSA-N

Compound name

(tert-butylamino) morpholine-4-carbodithioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7
Patents: 234.08606 Da
Monoisotopic Mass: 1.2
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]+	235.09334	151.7
[M+Na]+	257.07528	156.0
[M-H]-	233.07878	153.2
[M+NH4]+	252.11988	167.3
[M+K]+	273.04922	153.7
[M+H-H2O]+	217.08332	145.3
[M+HCOO]-	279.08426	158.0
[M+CH3COO]-	293.09991	188.7
[M+Na-2H]-	255.06073	152.6
[M]+	234.08551	149.8
[M]-	234.08661	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe