CID 66786764

2411241-55-7

Structural Information

Molecular Formula
C5H5NO4
SMILES
C1=C(N=C(O1)CO)C(=O)O
InChI
InChI=1S/C5H5NO4/c7-1-4-6-3(2-10-4)5(8)9/h2,7H,1H2,(H,8,9)
InChIKey
NUJUMFRWMDHCDX-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

143.02185 Da
Monoisotopic Mass

-0.7
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

No literature data available for this compound.

Patent stripe

patents stripe