CID 54592548

Oxane-4-sulfonamide

Structural Information

Molecular Formula
C5H11NO3S
SMILES
C1COCCC1S(=O)(=O)N
InChI
InChI=1S/C5H11NO3S/c6-10(7,8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,6,7,8)
InChIKey
KHNSAYUHYIAYEZ-UHFFFAOYSA-N
Compound name
oxane-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

165.04596 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.053236 130.7
[M+Na]+ 188.035178 136.7
[M-H]- 164.038684 134.1
[M+NH4]+ 183.079783 149.6
[M+K]+ 204.009118 136.5
[M+H-H2O]+ 148.043220 125.5
[M+HCOO]- 210.044161 146.0
[M+CH3COO]- 224.059811 173.1
[M+Na-2H]- 186.020626 135.9
[M]+ 165.04541142 128.2
[M]- 165.04650858 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