CID 112686109

N-(oxan-4-yl)aminosulfonamide

Structural Information

Molecular Formula
C5H12N2O3S
SMILES
C1COCCC1NS(=O)(=O)N
InChI
InChI=1S/C5H12N2O3S/c6-11(8,9)7-5-1-3-10-4-2-5/h5,7H,1-4H2,(H2,6,8,9)
InChIKey
DRBVAWQDPGGWIH-UHFFFAOYSA-N
Compound name
4-(sulfamoylamino)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

180.05687 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.064146 134.1
[M+Na]+ 203.046088 139.1
[M-H]- 179.049594 137.2
[M+NH4]+ 198.090693 151.8
[M+K]+ 219.020028 138.6
[M+H-H2O]+ 163.054130 128.2
[M+HCOO]- 225.055071 150.2
[M+CH3COO]- 239.070721 178.3
[M+Na-2H]- 201.031536 139.7
[M]+ 180.05632142 130.7
[M]- 180.05741858 130.7
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