CID 132313737

2126178-35-4

Structural Information

Molecular Formula
C7H9NO4
SMILES
CCOC(=O)C1=C(NC(=O)O1)C
InChI
InChI=1S/C7H9NO4/c1-3-11-6(9)5-4(2)8-7(10)12-5/h3H2,1-2H3,(H,8,10)
InChIKey
ANPDWHONXRRAQU-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-2-oxo-3H-1,3-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05316 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 131.2
[M+Na]+ 194.04238 141.0
[M-H]- 170.04588 133.6
[M+NH4]+ 189.08698 150.4
[M+K]+ 210.01632 141.0
[M+H-H2O]+ 154.05042 125.8
[M+HCOO]- 216.05136 153.7
[M+CH3COO]- 230.06701 174.4
[M+Na-2H]- 192.02783 136.0
[M]+ 171.05261 134.7
[M]- 171.05371 134.7
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.