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]+ 200.05535 131.5
[M+Na]+ 222.03729 137.0
[M-H]- 198.04079 136.8
[M+NH4]+ 217.08189 142.7
[M+K]+ 238.01123 142.2
[M+H-H2O]+ 182.04533 121.4
[M+HCOO]- 244.04627 150.9
[M+CH3COO]- 258.06192 180.2
[M+Na-2H]- 220.02274 139.0
[M]+ 199.04752 143.3
[M]- 199.04862 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.