CID 96599

63868-54-2

Structural Information

Molecular Formula

C₇H₁₃NO₂S₂

SMILES

C1COCCN1C(=S)SCCO

InChI

InChI=1S/C7H13NO2S2/c9-3-6-12-7(11)8-1-4-10-5-2-8/h9H,1-6H2

InChIKey

YVCGTSJEHOFNPF-UHFFFAOYSA-N

Compound name

2-hydroxyethyl morpholine-4-carbodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.03877 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]+	208.04605	141.6
[M+Na]+	230.02799	146.6
[M-H]-	206.03149	142.0
[M+NH4]+	225.07259	157.6
[M+K]+	246.00193	144.2
[M+H-H2O]+	190.03603	135.7
[M+HCOO]-	252.03697	147.8
[M+CH3COO]-	266.05262	177.9
[M+Na-2H]-	228.01344	141.7
[M]+	207.03822	139.9
[M]-	207.03932	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe