CID 600546

3-aminobenzofuran-2-carboxamide

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC=C2C(=C1)C(=C(O2)C(=O)N)N
InChI
InChI=1S/C9H8N2O2/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H2,11,12)
InChIKey
FXOYSSLDDDZIJN-UHFFFAOYSA-N
Compound name
3-amino-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

176.05858 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.4
[M+Na]+ 199.04780 143.3
[M-H]- 175.05130 138.9
[M+NH4]+ 194.09240 154.4
[M+K]+ 215.02174 141.6
[M+H-H2O]+ 159.05584 127.9
[M+HCOO]- 221.05678 159.6
[M+CH3COO]- 235.07243 183.5
[M+Na-2H]- 197.03325 140.3
[M]+ 176.05803 133.8
[M]- 176.05913 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe