CID 62067791

1,4-oxazepane-4-sulfonamide

Structural Information

Molecular Formula

C₅H₁₂N₂O₃S

SMILES

C1CN(CCOC1)S(=O)(=O)N

InChI

InChI=1S/C5H12N2O3S/c6-11(8,9)7-2-1-4-10-5-3-7/h1-5H2,(H2,6,8,9)

InChIKey

IQNISBHTMIOXNQ-UHFFFAOYSA-N

Compound name

1,4-oxazepane-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 180.05687 Da
Monoisotopic Mass: -1.2
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]+	181.06415	138.5
[M+Na]+	203.04609	144.8
[M+NH4]+	198.09069	144.4
[M+K]+	219.02003	141.7
[M-H]-	179.04959	139.0
[M+Na-2H]-	201.03154	140.9
[M]+	180.05632	139.6
[M]-	180.05742	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe