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]+ 181.06415 132.7
[M+Na]+ 203.04609 136.1
[M-H]- 179.04959 135.5
[M+NH4]+ 198.09069 148.0
[M+K]+ 219.02003 140.8
[M+H-H2O]+ 163.05413 126.0
[M+HCOO]- 225.05507 145.9
[M+CH3COO]- 239.07072 178.0
[M+Na-2H]- 201.03154 136.9
[M]+ 180.05632 127.1
[M]- 180.05742 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