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]+ 186.07608 137.1
[M+Na]+ 208.05802 145.1
[M-H]- 184.06152 138.8
[M+NH4]+ 203.10262 155.3
[M+K]+ 224.03196 145.5
[M+H-H2O]+ 168.06606 131.0
[M+HCOO]- 230.06700 159.0
[M+CH3COO]- 244.08265 177.6
[M+Na-2H]- 206.04347 142.0
[M]+ 185.06825 141.3
[M]- 185.06935 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.