CID 12892

729-46-4

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂S₄

SMILES

C1COCCN1C(=S)SSC(=S)N2CCOCC2

InChI

InChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2

InChIKey

KKVYOWPPMNSLCP-UHFFFAOYSA-N

Compound name

morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 18
References: 40
Patents: 324.00946 Da
Monoisotopic Mass: 0.9
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]+	325.01674	157.5
[M+Na]+	346.99868	164.4
[M+NH4]+	342.04328	165.1
[M+K]+	362.97262	154.5
[M-H]-	323.00218	161.7
[M+Na-2H]-	344.98413	158.2
[M]+	324.00891	161.2
[M]-	324.01001	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe