CID 12850266

23386-40-5

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1C2=C(C=CC(=C2)C(=O)O)C(=O)N1
InChI
InChI=1S/C9H7NO3/c11-8-7-2-1-5(9(12)13)3-6(7)4-10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChIKey
OLKKGIPWCIURHH-UHFFFAOYSA-N
Compound name
1-oxo-2,3-dihydroisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

177.04259 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 134.1
[M+Na]+ 200.031808 143.0
[M-H]- 176.035314 135.1
[M+NH4]+ 195.076413 154.5
[M+K]+ 216.005748 139.7
[M+H-H2O]+ 160.039850 128.9
[M+HCOO]- 222.040791 153.6
[M+CH3COO]- 236.056441 174.2
[M+Na-2H]- 198.017256 138.6
[M]+ 177.04204142 132.0
[M]- 177.04313858 132.0
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