CID 12284649

4-aminophthalide

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

104
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 126.7
[M+Na]+ 172.03690 138.6
[M+NH4]+ 167.08150 136.0
[M+K]+ 188.01084 135.1
[M-H]- 148.04040 130.5
[M+Na-2H]- 170.02235 131.8
[M]+ 149.04713 129.3
[M]- 149.04823 129.3
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