CID 10909726

3883-64-5

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1C2=C(C(=CC=C2)N)C(=O)O1
InChI
InChI=1S/C8H7NO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4,9H2
InChIKey
ZOKRDQGDSFSYSE-UHFFFAOYSA-N
Compound name
7-amino-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

149.04768 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe