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

14
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 131.9
[M+Na]+ 201.02706 142.7
[M-H]- 177.03056 135.4
[M+NH4]+ 196.07166 151.4
[M+K]+ 217.00100 141.1
[M+H-H2O]+ 161.03510 126.1
[M+HCOO]- 223.03604 155.5
[M+CH3COO]- 237.05169 178.4
[M+Na-2H]- 199.01251 139.5
[M]+ 178.03729 133.9
[M]- 178.03839 133.9
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