CID 8027249

5-(hydroxymethyl)-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C5H5NO4
SMILES
C1=C(ON=C1C(=O)O)CO
InChI
InChI=1S/C5H5NO4/c7-2-3-1-4(5(8)9)6-10-3/h1,7H,2H2,(H,8,9)
InChIKey
MZEMFJMDJPVEDB-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

97
Patents

143.02185 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02913 123.8
[M+Na]+ 166.01107 132.7
[M-H]- 142.01457 124.7
[M+NH4]+ 161.05567 143.0
[M+K]+ 181.98501 132.9
[M+H-H2O]+ 126.01911 118.5
[M+HCOO]- 188.02005 145.2
[M+CH3COO]- 202.03570 166.0
[M+Na-2H]- 163.99652 129.9
[M]+ 143.02130 125.1
[M]- 143.02240 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe