CID 64147174

3-ethoxypropane-1-sulfonamide

Structural Information

Molecular Formula
C5H13NO3S
SMILES
CCOCCCS(=O)(=O)N
InChI
InChI=1S/C5H13NO3S/c1-2-9-4-3-5-10(6,7)8/h2-5H2,1H3,(H2,6,7,8)
InChIKey
QDMMFDFOSOOUTL-UHFFFAOYSA-N
Compound name
3-ethoxypropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

167.06161 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.068886 133.4
[M+Na]+ 190.050828 140.8
[M-H]- 166.054334 133.4
[M+NH4]+ 185.095433 153.9
[M+K]+ 206.024768 139.5
[M+H-H2O]+ 150.058870 128.4
[M+HCOO]- 212.059811 151.9
[M+CH3COO]- 226.075461 176.7
[M+Na-2H]- 188.036276 137.4
[M]+ 167.06106142 136.8
[M]- 167.06215858 136.8
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