CID 165987523

Sodium 2-{[3-(1,2-oxazol-3-yl)oxetan-3-yl]oxy}acetate

Structural Information

Molecular Formula
C8H9NO5
SMILES
C1C(CO1)(C2=NOC=C2)OCC(=O)O
InChI
InChI=1S/C8H9NO5/c10-7(11)3-13-8(4-12-5-8)6-1-2-14-9-6/h1-2H,3-5H2,(H,10,11)
InChIKey
WPPKZVLQMHEAKF-UHFFFAOYSA-N
Compound name
2-[3-(1,2-oxazol-3-yl)oxetan-3-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.04807 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.055346 131.5
[M+Na]+ 222.037288 137.0
[M-H]- 198.040794 136.8
[M+NH4]+ 217.081893 142.7
[M+K]+ 238.011228 142.2
[M+H-H2O]+ 182.045330 121.4
[M+HCOO]- 244.046271 150.9
[M+CH3COO]- 258.061921 180.2
[M+Na-2H]- 220.022736 139.0
[M]+ 199.04752142 143.3
[M]- 199.04861858 143.3
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.