CID 720669

5-aminophthalide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

377
Patents

149.04768 Da
Monoisotopic Mass

0.1
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

literature stripe

Patent stripe

patents stripe