CID 12284649

4-amino-1,3-dihydro-2-benzofuran-1-one

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1C2=C(C=CC=C2N)C(=O)O1
InChI
InChI=1S/C8H7NO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4,9H2
InChIKey
KOIAVJZQMYBLJJ-UHFFFAOYSA-N
Compound name
4-amino-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

149.04768 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 125.7
[M+Na]+ 172.036898 135.3
[M-H]- 148.040404 131.1
[M+NH4]+ 167.081503 148.4
[M+K]+ 188.010838 134.1
[M+H-H2O]+ 132.044940 120.9
[M+HCOO]- 194.045881 150.0
[M+CH3COO]- 208.061531 175.6
[M+Na-2H]- 170.022346 133.2
[M]+ 149.04713142 125.3
[M]- 149.04822858 125.3
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