CID 12858834

86287-91-4

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

COC(=O)C1CSCCN1

InChI

InChI=1S/C6H11NO2S/c1-9-6(8)5-4-10-3-2-7-5/h5,7H,2-4H2,1H3

InChIKey

CYKUMLWZCRVBJA-UHFFFAOYSA-N

Compound name

methyl thiomorpholine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 161.05106 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]+	162.05834	133.0
[M+Na]+	184.04028	142.2
[M+NH4]+	179.08488	141.1
[M+K]+	200.01422	135.7
[M-H]-	160.04378	133.3
[M+Na-2H]-	182.02573	136.5
[M]+	161.05051	134.6
[M]-	161.05161	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe