CID 214135

27759-71-3

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂S₂

SMILES

C1COCCN1C(=S)CC(=S)N2CCOCC2

InChI

InChI=1S/C11H18N2O2S2/c16-10(12-1-5-14-6-2-12)9-11(17)13-3-7-15-8-4-13/h1-9H2

InChIKey

CGOCUAQIVLLXCA-UHFFFAOYSA-N

Compound name

1,3-dimorpholin-4-ylpropane-1,3-dithione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 274.08096 Da
Monoisotopic Mass: -0.2
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]+	275.088236	159.6
[M+Na]+	297.070178	162.4
[M-H]-	273.073684	162.6
[M+NH4]+	292.114783	170.5
[M+K]+	313.044118	160.9
[M+H-H2O]+	257.078220	152.2
[M+HCOO]-	319.079161	161.2
[M+CH3COO]-	333.094811	192.1
[M+Na-2H]-	295.055626	157.9
[M]+	274.08041142	154.5
[M]-	274.08150858	154.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.