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

2
Patents

180.05687 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.064146 132.7
[M+Na]+ 203.046088 136.1
[M-H]- 179.049594 135.5
[M+NH4]+ 198.090693 148.0
[M+K]+ 219.020028 140.8
[M+H-H2O]+ 163.054130 126.0
[M+HCOO]- 225.055071 145.9
[M+CH3COO]- 239.070721 178.0
[M+Na-2H]- 201.031536 136.9
[M]+ 180.05632142 127.1
[M]- 180.05741858 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe