CID 122163439

3-(sulfamoylmethyl)oxetane-3-carboxylic acid

Structural Information

Molecular Formula
C5H9NO5S
SMILES
C1C(CO1)(CS(=O)(=O)N)C(=O)O
InChI
InChI=1S/C5H9NO5S/c6-12(9,10)3-5(4(7)8)1-11-2-5/h1-3H2,(H,7,8)(H2,6,9,10)
InChIKey
KRKWUDQYRUTIFP-UHFFFAOYSA-N
Compound name
3-(sulfamoylmethyl)oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

195.02014 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02742 139.8
[M+Na]+ 218.00936 141.7
[M+NH4]+ 213.05396 142.3
[M+K]+ 233.98330 139.4
[M-H]- 194.01286 135.8
[M+Na-2H]- 215.99481 139.7
[M]+ 195.01959 137.8
[M]- 195.02069 137.8
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