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

56
Patents

155.02185 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02913 126.7
[M+Na]+ 178.01107 135.7
[M-H]- 154.01457 129.0
[M+NH4]+ 173.05567 146.0
[M+K]+ 193.98501 136.4
[M+H-H2O]+ 138.01911 121.2
[M+HCOO]- 200.02005 148.5
[M+CH3COO]- 214.03570 171.6
[M+Na-2H]- 175.99652 131.5
[M]+ 155.02130 128.9
[M]- 155.02240 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