CID 64175010

Oxane-3-sulfonamide

Structural Information

Molecular Formula
C5H11NO3S
SMILES
C1CC(COC1)S(=O)(=O)N
InChI
InChI=1S/C5H11NO3S/c6-10(7,8)5-2-1-3-9-4-5/h5H,1-4H2,(H2,6,7,8)
InChIKey
OQDNRQGVYQYRSA-UHFFFAOYSA-N
Compound name
oxane-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

165.04596 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.05324 130.7
[M+Na]+ 188.03518 136.7
[M-H]- 164.03868 134.1
[M+NH4]+ 183.07978 149.6
[M+K]+ 204.00912 136.5
[M+H-H2O]+ 148.04322 125.5
[M+HCOO]- 210.04416 146.0
[M+CH3COO]- 224.05981 173.1
[M+Na-2H]- 186.02063 135.9
[M]+ 165.04541 128.2
[M]- 165.04651 128.2
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