CID 54592548

Oxane-4-sulfonamide

Structural Information

Molecular Formula

C₅H₁₁NO₃S

SMILES

C1COCCC1S(=O)(=O)N

InChI

InChI=1S/C5H11NO3S/c6-10(7,8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,6,7,8)

InChIKey

KHNSAYUHYIAYEZ-UHFFFAOYSA-N

Compound name

oxane-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 209
Patents: 165.04596 Da
Monoisotopic Mass: -0.7
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]+	166.05324	132.0
[M+Na]+	188.03518	140.4
[M+NH4]+	183.07978	139.6
[M+K]+	204.00912	135.3
[M-H]-	164.03868	133.7
[M+Na-2H]-	186.02063	135.2
[M]+	165.04541	133.8
[M]-	165.04651	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe