CID 15673156

54489-27-9

Structural Information

Molecular Formula
C5H5NO4
SMILES
C1=C(ONC1=O)CC(=O)O
InChI
InChI=1S/C5H5NO4/c7-4-1-3(10-6-4)2-5(8)9/h1H,2H2,(H,6,7)(H,8,9)
InChIKey
WPMUQANSUHHDJD-UHFFFAOYSA-N
Compound name
2-(3-oxo-1,2-oxazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
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 123.1
[M+Na]+ 166.01107 132.3
[M-H]- 142.01457 124.0
[M+NH4]+ 161.05567 142.3
[M+K]+ 181.98501 131.8
[M+H-H2O]+ 126.01911 117.9
[M+HCOO]- 188.02005 144.7
[M+CH3COO]- 202.03570 165.3
[M+Na-2H]- 163.99652 129.1
[M]+ 143.02130 123.7
[M]- 143.02240 123.7
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

patents stripe