CID 83385636

5-amino-1,3-benzoxazole-2-carboxamide

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1=CC2=C(C=C1N)N=C(O2)C(=O)N
InChI
InChI=1S/C8H7N3O2/c9-4-1-2-6-5(3-4)11-8(13-6)7(10)12/h1-3H,9H2,(H2,10,12)
InChIKey
COVGNHJUKAMHSP-UHFFFAOYSA-N
Compound name
5-amino-1,3-benzoxazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05383 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.1
[M+Na]+ 200.04305 143.4
[M-H]- 176.04655 137.3
[M+NH4]+ 195.08765 152.7
[M+K]+ 216.01699 141.8
[M+H-H2O]+ 160.05109 126.7
[M+HCOO]- 222.05203 158.3
[M+CH3COO]- 236.06768 183.2
[M+Na-2H]- 198.02850 140.4
[M]+ 177.05328 133.7
[M]- 177.05438 133.7
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

No patent data available for this compound.