CID 83700

13752-51-7

Structural Information

Molecular Formula

C₉H₁₆N₂O₂S₂

SMILES

C1COCCN1C(=S)SN2CCOCC2

InChI

InChI=1S/C9H16N2O2S2/c14-9(10-1-5-12-6-2-10)15-11-3-7-13-8-4-11/h1-8H2

InChIKey

HOEFWOBLOGZQIQ-UHFFFAOYSA-N

Compound name

morpholin-4-yl morpholine-4-carbodithioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 761
Patents: 248.06532 Da
Monoisotopic Mass: 0.3
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]+	249.07260	151.6
[M+Na]+	271.05454	155.2
[M-H]-	247.05804	154.9
[M+NH4]+	266.09914	163.7
[M+K]+	287.02848	154.4
[M+H-H2O]+	231.06258	144.3
[M+HCOO]-	293.06352	154.6
[M+CH3COO]-	307.07917	160.7
[M+Na-2H]-	269.03999	151.6
[M]+	248.06477	147.0
[M]-	248.06587	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe