CID 61554768

Oxolan-3-ylmethanesulfonamide

Structural Information

Molecular Formula

C₅H₁₁NO₃S

SMILES

C1COCC1CS(=O)(=O)N

InChI

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

InChIKey

NFOUZRZWVDPJJG-UHFFFAOYSA-N

Compound name

oxolan-3-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 165.04596 Da
Monoisotopic Mass: -0.8
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	132.1
[M+Na]+	188.03518	139.2
[M-H]-	164.03868	135.8
[M+NH4]+	183.07978	153.0
[M+K]+	204.00912	139.1
[M+H-H2O]+	148.04322	127.4
[M+HCOO]-	210.04416	149.5
[M+CH3COO]-	224.05981	172.8
[M+Na-2H]-	186.02063	136.0
[M]+	165.04541	131.8
[M]-	165.04651	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe