CID 137942240

3-(oxiran-2-yl)propane-1-sulfonamide

Structural Information

Molecular Formula
C5H11NO3S
SMILES
C1C(O1)CCCS(=O)(=O)N
InChI
InChI=1S/C5H11NO3S/c6-10(7,8)3-1-2-5-4-9-5/h5H,1-4H2,(H2,6,7,8)
InChIKey
RNNCEFWKDOOJKT-UHFFFAOYSA-N
Compound name
3-(oxiran-2-yl)propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 129.9
[M+Na]+ 188.03518 139.1
[M-H]- 164.03868 134.9
[M+NH4]+ 183.07978 144.4
[M+K]+ 204.00912 137.5
[M+H-H2O]+ 148.04322 123.9
[M+HCOO]- 210.04416 148.0
[M+CH3COO]- 224.05981 178.7
[M+Na-2H]- 186.02063 135.7
[M]+ 165.04541 135.1
[M]- 165.04651 135.1
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

No patent data available for this compound.