CID 130922744

Methyl 3-methylthiomorpholine-3-carboxylate hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₂S

SMILES

CC1(CSCCN1)C(=O)OC

InChI

InChI=1S/C7H13NO2S/c1-7(6(9)10-2)5-11-4-3-8-7/h8H,3-5H2,1-2H3

InChIKey

OQCBNKUWAMEXCW-UHFFFAOYSA-N

Compound name

methyl 3-methylthiomorpholine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.0667 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]+	176.073976	136.7
[M+Na]+	198.055918	142.4
[M-H]-	174.059424	137.0
[M+NH4]+	193.100523	157.1
[M+K]+	214.029858	141.0
[M+H-H2O]+	158.063960	131.7
[M+HCOO]-	220.064901	149.1
[M+CH3COO]-	234.080551	173.1
[M+Na-2H]-	196.041366	139.5
[M]+	175.06615142	134.3
[M]-	175.06724858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.