CID 54593645

2-amino-1,3-benzoxazole-6-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1=CC2=C(C=C1C(=O)O)OC(=N2)N
InChI
InChI=1S/C8H6N2O3/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H2,9,10)(H,11,12)
InChIKey
YDSHCJMXVFSPNJ-UHFFFAOYSA-N
Compound name
2-amino-1,3-benzoxazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

178.03784 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 132.8
[M+Na]+ 201.02706 144.8
[M+NH4]+ 196.07166 140.1
[M+K]+ 217.00100 142.8
[M-H]- 177.03056 134.8
[M+Na-2H]- 199.01251 137.6
[M]+ 178.03729 134.8
[M]- 178.03839 134.8
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