CID 192792

4108-89-8

Structural Information

Molecular Formula

C₆H₁₄N₂O₂S

SMILES

C1CCCN(CC1)S(=O)(=O)N

InChI

InChI=1S/C6H14N2O2S/c7-11(9,10)8-5-3-1-2-4-6-8/h1-6H2,(H2,7,9,10)

InChIKey

GOWDFSKVUJAHJJ-UHFFFAOYSA-N

Compound name

azepane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 39
Patents: 178.0776 Da
Monoisotopic Mass: 0.0
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]+	179.08488	134.7
[M+Na]+	201.06682	137.8
[M-H]-	177.07032	136.7
[M+NH4]+	196.11142	151.4
[M+K]+	217.04076	141.0
[M+H-H2O]+	161.07486	128.1
[M+HCOO]-	223.07580	148.1
[M+CH3COO]-	237.09145	178.8
[M+Na-2H]-	199.05227	137.5
[M]+	178.07705	127.7
[M]-	178.07815	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe