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

9
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 134.6
[M+Na]+ 218.00936 138.6
[M-H]- 194.01286 136.4
[M+NH4]+ 213.05396 146.2
[M+K]+ 233.98330 142.0
[M+H-H2O]+ 178.01740 124.4
[M+HCOO]- 240.01834 148.2
[M+CH3COO]- 254.03399 179.7
[M+Na-2H]- 215.99481 139.4
[M]+ 195.01959 143.9
[M]- 195.02069 143.9
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