CID 13137486

Potassium 2-[(4-oxoazetidin-2-yl)sulfanyl]acetate

Structural Information

Molecular Formula
C5H7NO3S
SMILES
C1C(NC1=O)SCC(=O)O
InChI
InChI=1S/C5H7NO3S/c7-3-1-4(6-3)10-2-5(8)9/h4H,1-2H2,(H,6,7)(H,8,9)
InChIKey
FPLBCRWINFQSFE-UHFFFAOYSA-N
Compound name
2-(4-oxoazetidin-2-yl)sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.01466 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.021936 128.7
[M+Na]+ 184.003878 133.6
[M-H]- 160.007384 127.9
[M+NH4]+ 179.048483 140.2
[M+K]+ 199.977818 134.5
[M+H-H2O]+ 144.011920 117.3
[M+HCOO]- 206.012861 141.2
[M+CH3COO]- 220.028511 173.3
[M+Na-2H]- 181.989326 129.4
[M]+ 161.01411142 136.4
[M]- 161.01520858 136.4
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.