CID 11528364

6-hydroxyisoindolin-1-one

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1C2=C(C=C(C=C2)O)C(=O)N1
InChI
InChI=1S/C8H7NO2/c10-6-2-1-5-4-9-8(11)7(5)3-6/h1-3,10H,4H2,(H,9,11)
InChIKey
YGEDYDDFFVHFEA-UHFFFAOYSA-N
Compound name
6-hydroxy-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

149.04768 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 128.2
[M+Na]+ 172.03690 140.0
[M+NH4]+ 167.08150 136.7
[M+K]+ 188.01084 136.3
[M-H]- 148.04040 128.7
[M+Na-2H]- 170.02235 132.8
[M]+ 149.04713 129.8
[M]- 149.04823 129.8
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