CID 83872392

1546993-28-5

Structural Information

Molecular Formula
C5H5NO4
SMILES
C1=C(C(=O)NO1)CC(=O)O
InChI
InChI=1S/C5H5NO4/c7-4(8)1-3-2-10-6-5(3)9/h2H,1H2,(H,6,9)(H,7,8)
InChIKey
ZPXAXCPJFNMPBM-UHFFFAOYSA-N
Compound name
2-(3-oxo-1,2-oxazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.02185 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02913 125.2
[M+Na]+ 166.01107 135.2
[M+NH4]+ 161.05567 131.1
[M+K]+ 181.98501 134.4
[M-H]- 142.01457 124.4
[M+Na-2H]- 163.99652 128.1
[M]+ 143.02130 125.9
[M]- 143.02240 125.9
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

No patent data available for this compound.