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]+ 196.027416 134.6
[M+Na]+ 218.009358 138.6
[M-H]- 194.012864 136.4
[M+NH4]+ 213.053963 146.2
[M+K]+ 233.983298 142.0
[M+H-H2O]+ 178.017400 124.4
[M+HCOO]- 240.018341 148.2
[M+CH3COO]- 254.033991 179.7
[M+Na-2H]- 215.994806 139.4
[M]+ 195.01959142 143.9
[M]- 195.02068858 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