CID 20544719

1,3-dioxo-2,3-dihydro-1h-isoindole-4-carboxylic acid

Structural Information

Molecular Formula
C9H5NO4
SMILES
C1=CC2=C(C(=C1)C(=O)O)C(=O)NC2=O
InChI
InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)8(12)10-7/h1-3H,(H,13,14)(H,10,11,12)
InChIKey
BADJECWYJALBEL-UHFFFAOYSA-N
Compound name
1,3-dioxoisoindole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

191.02185 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02913 135.2
[M+Na]+ 214.01107 145.1
[M-H]- 190.01457 136.6
[M+NH4]+ 209.05567 155.1
[M+K]+ 229.98501 141.8
[M+H-H2O]+ 174.01911 130.2
[M+HCOO]- 236.02005 155.0
[M+CH3COO]- 250.03570 176.8
[M+Na-2H]- 211.99652 139.2
[M]+ 191.02130 134.3
[M]- 191.02240 134.3
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