CID 5043631

Methyl morpholine-4-carbodithioate

Structural Information

Molecular Formula

C₆H₁₁NOS₂

SMILES

CSC(=S)N1CCOCC1

InChI

InChI=1S/C6H11NOS2/c1-10-6(9)7-2-4-8-5-3-7/h2-5H2,1H3

InChIKey

VJOUSDFNBHXWJA-UHFFFAOYSA-N

Compound name

methyl morpholine-4-carbodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 177.02821 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]+	178.03549	133.6
[M+Na]+	200.01743	139.8
[M-H]-	176.02093	135.8
[M+NH4]+	195.06203	151.7
[M+K]+	215.99137	138.2
[M+H-H2O]+	160.02547	127.8
[M+HCOO]-	222.02641	141.4
[M+CH3COO]-	236.04206	175.5
[M+Na-2H]-	198.00288	134.4
[M]+	177.02766	132.1
[M]-	177.02876	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe