CID 55299190

7-hydroxyisoindolin-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

149.04768 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 127.4
[M+Na]+ 172.036898 136.9
[M-H]- 148.040404 128.5
[M+NH4]+ 167.081503 149.1
[M+K]+ 188.010838 133.3
[M+H-H2O]+ 132.044940 122.3
[M+HCOO]- 194.045881 147.9
[M+CH3COO]- 208.061531 168.9
[M+Na-2H]- 170.022346 133.6
[M]+ 149.04713142 124.8
[M]- 149.04822858 124.8
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