CID 3009846

Dimorpholin-4-ylmethanethione

Structural Information

Molecular Formula

C₉H₁₆N₂O₂S

SMILES

C1COCCN1C(=S)N2CCOCC2

InChI

InChI=1S/C9H16N2O2S/c14-9(10-1-5-12-6-2-10)11-3-7-13-8-4-11/h1-8H2

InChIKey

AZHGSCTWVDLDLP-UHFFFAOYSA-N

Compound name

dimorpholin-4-ylmethanethione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 216.09325 Da
Monoisotopic Mass: -0.4
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]+	217.10053	148.0
[M+Na]+	239.08247	151.4
[M-H]-	215.08597	151.6
[M+NH4]+	234.12707	161.1
[M+K]+	255.05641	151.8
[M+H-H2O]+	199.09051	140.0
[M+HCOO]-	261.09145	156.0
[M+CH3COO]-	275.10710	157.9
[M+Na-2H]-	237.06792	149.8
[M]+	216.09270	142.6
[M]-	216.09380	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe