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]+ 162.02194 128.7
[M+Na]+ 184.00388 133.6
[M-H]- 160.00738 127.9
[M+NH4]+ 179.04848 140.2
[M+K]+ 199.97782 134.5
[M+H-H2O]+ 144.01192 117.3
[M+HCOO]- 206.01286 141.2
[M+CH3COO]- 220.02851 173.3
[M+Na-2H]- 181.98933 129.4
[M]+ 161.01411 136.4
[M]- 161.01521 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.