CID 83696073

2-(methanesulfonylmethyl)morpholine hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₃S

SMILES

CS(=O)(=O)CC1CNCCO1

InChI

InChI=1S/C6H13NO3S/c1-11(8,9)5-6-4-7-2-3-10-6/h6-7H,2-5H2,1H3

InChIKey

LOBZKQDPMWPLCG-UHFFFAOYSA-N

Compound name

2-(methylsulfonylmethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 179.06161 Da
Monoisotopic Mass: -1.1
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]+	180.06889	135.7
[M+Na]+	202.05083	141.8
[M-H]-	178.05433	136.7
[M+NH4]+	197.09543	152.7
[M+K]+	218.02477	140.9
[M+H-H2O]+	162.05887	130.2
[M+HCOO]-	224.05981	147.6
[M+CH3COO]-	238.07546	172.0
[M+Na-2H]-	200.03628	140.4
[M]+	179.06106	134.0
[M]-	179.06216	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe