CID 62589755

1248759-60-5

Structural Information

Molecular Formula
C8H11NO4
SMILES
CCOCCC1=NC(=CO1)C(=O)O
InChI
InChI=1S/C8H11NO4/c1-2-12-4-3-7-9-6(5-13-7)8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKey
FBCVRYFJEYOOTQ-UHFFFAOYSA-N
Compound name
2-(2-ethoxyethyl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.0688 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.076076 137.1
[M+Na]+ 208.058018 145.1
[M-H]- 184.061524 138.8
[M+NH4]+ 203.102623 155.3
[M+K]+ 224.031958 145.5
[M+H-H2O]+ 168.066060 131.0
[M+HCOO]- 230.067001 159.0
[M+CH3COO]- 244.082651 177.6
[M+Na-2H]- 206.043466 142.0
[M]+ 185.06825142 141.3
[M]- 185.06934858 141.3
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.