CID 17867521

145441-17-4

Structural Information

Molecular Formula
C6H5NO4
SMILES
CC(=O)C1=CC(=NO1)C(=O)O
InChI
InChI=1S/C6H5NO4/c1-3(8)5-2-4(6(9)10)7-11-5/h2H,1H3,(H,9,10)
InChIKey
BPFNHNJYQWTXHY-UHFFFAOYSA-N
Compound name
5-acetyl-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

155.02185 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.029126 126.7
[M+Na]+ 178.011068 135.7
[M-H]- 154.014574 129.0
[M+NH4]+ 173.055673 146.0
[M+K]+ 193.985008 136.4
[M+H-H2O]+ 138.019110 121.2
[M+HCOO]- 200.020051 148.5
[M+CH3COO]- 214.035701 171.6
[M+Na-2H]- 175.996516 131.5
[M]+ 155.02130142 128.9
[M]- 155.02239858 128.9
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

patents stripe