CID 2779383

2,3-dioxoindoline-7-carboxylic acid

Structural Information

Molecular Formula
C9H5NO4
SMILES
C1=CC2=C(C(=C1)C(=O)O)NC(=O)C2=O
InChI
InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)
InChIKey
ROODQCZSWXEDJL-UHFFFAOYSA-N
Compound name
2,3-dioxo-1H-indole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

64
Patents

191.02185 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.029126 135.2
[M+Na]+ 214.011068 145.1
[M-H]- 190.014574 136.6
[M+NH4]+ 209.055673 155.1
[M+K]+ 229.985008 141.8
[M+H-H2O]+ 174.019110 130.2
[M+HCOO]- 236.020051 155.0
[M+CH3COO]- 250.035701 176.8
[M+Na-2H]- 211.996516 139.2
[M]+ 191.02130142 134.3
[M]- 191.02239858 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

literature stripe

Patent stripe

patents stripe