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]+ 166.053236 129.9
[M+Na]+ 188.035178 139.1
[M-H]- 164.038684 134.9
[M+NH4]+ 183.079783 144.4
[M+K]+ 204.009118 137.5
[M+H-H2O]+ 148.043220 123.9
[M+HCOO]- 210.044161 148.0
[M+CH3COO]- 224.059811 178.7
[M+Na-2H]- 186.020626 135.7
[M]+ 165.04541142 135.1
[M]- 165.04650858 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.