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]+ 129.02947 120.6
[M+Na]+ 151.01141 129.5
[M-H]- 127.01491 122.5
[M+NH4]+ 146.05601 140.5
[M+K]+ 166.98535 129.9
[M+H-H2O]+ 111.01945 114.9
[M+HCOO]- 173.02039 144.0
[M+CH3COO]- 187.03604 167.7
[M+Na-2H]- 148.99686 126.9
[M]+ 128.02164 120.1
[M]- 128.02274 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