CID 13321082

95104-40-8

Structural Information

Molecular Formula
C8H11NO4
SMILES
CCOC(=O)C1=C(ON=C1C)CO
InChI
InChI=1S/C8H11NO4/c1-3-12-8(11)7-5(2)9-13-6(7)4-10/h10H,3-4H2,1-2H3
InChIKey
IEEJBOFPPOHDNU-UHFFFAOYSA-N
Compound name
ethyl 5-(hydroxymethyl)-3-methyl-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

185.0688 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07608 136.8
[M+Na]+ 208.05802 145.9
[M-H]- 184.06152 139.0
[M+NH4]+ 203.10262 155.5
[M+K]+ 224.03196 146.3
[M+H-H2O]+ 168.06606 131.1
[M+HCOO]- 230.06700 158.8
[M+CH3COO]- 244.08265 178.2
[M+Na-2H]- 206.04347 141.1
[M]+ 185.06825 141.4
[M]- 185.06935 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe