CID 46739074

2-aminooxazole-5-carboxylic acid

Structural Information

Molecular Formula
C4H4N2O3
SMILES
C1=C(OC(=N1)N)C(=O)O
InChI
InChI=1S/C4H4N2O3/c5-4-6-1-2(9-4)3(7)8/h1H,(H2,5,6)(H,7,8)
InChIKey
VHGLIMPSBPUNSX-UHFFFAOYSA-N
Compound name
2-amino-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

128.02219 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.029466 120.6
[M+Na]+ 151.011408 129.5
[M-H]- 127.014914 122.5
[M+NH4]+ 146.056013 140.5
[M+K]+ 166.985348 129.9
[M+H-H2O]+ 111.019450 114.9
[M+HCOO]- 173.020391 144.0
[M+CH3COO]- 187.036041 167.7
[M+Na-2H]- 148.996856 126.9
[M]+ 128.02164142 120.1
[M]- 128.02273858 120.1
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