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]+ 179.045116 131.9
[M+Na]+ 201.027058 142.7
[M-H]- 177.030564 135.4
[M+NH4]+ 196.071663 151.4
[M+K]+ 217.000998 141.1
[M+H-H2O]+ 161.035100 126.1
[M+HCOO]- 223.036041 155.5
[M+CH3COO]- 237.051691 178.4
[M+Na-2H]- 199.012506 139.5
[M]+ 178.03729142 133.9
[M]- 178.03838858 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