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

107
Patents

149.04768 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 125.7
[M+Na]+ 172.03690 135.3
[M-H]- 148.04040 131.1
[M+NH4]+ 167.08150 148.4
[M+K]+ 188.01084 134.1
[M+H-H2O]+ 132.04494 120.9
[M+HCOO]- 194.04588 150.0
[M+CH3COO]- 208.06153 175.6
[M+Na-2H]- 170.02235 133.2
[M]+ 149.04713 125.3
[M]- 149.04823 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