CID 18348472

1039037-73-4

Structural Information

Molecular Formula

C₆H₁₃NO₃S

SMILES

C1COCCC1CS(=O)(=O)N

InChI

InChI=1S/C6H13NO3S/c7-11(8,9)5-6-1-3-10-4-2-6/h6H,1-5H2,(H2,7,8,9)

InChIKey

LIYDRYVJVDFNJV-UHFFFAOYSA-N

Compound name

oxan-4-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 179.06161 Da
Monoisotopic Mass: -0.5
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]+	180.068886	135.1
[M+Na]+	202.050828	140.7
[M-H]-	178.054334	138.3
[M+NH4]+	197.095433	153.5
[M+K]+	218.024768	140.2
[M+H-H2O]+	162.058870	129.7
[M+HCOO]-	224.059811	150.1
[M+CH3COO]-	238.075461	176.2
[M+Na-2H]-	200.036276	139.8
[M]+	179.06106142	133.0
[M]-	179.06215858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe