CID 515951

1-methyl-2,3-dioxoindoline-5-carboxylic acid

Structural Information

Molecular Formula
C10H7NO4
SMILES
CN1C2=C(C=C(C=C2)C(=O)O)C(=O)C1=O
InChI
InChI=1S/C10H7NO4/c1-11-7-3-2-5(10(14)15)4-6(7)8(12)9(11)13/h2-4H,1H3,(H,14,15)
InChIKey
ROPLRWWORDJINQ-UHFFFAOYSA-N
Compound name
1-methyl-2,3-dioxoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

205.0375 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 141.3
[M+Na]+ 228.02672 152.6
[M+NH4]+ 223.07132 147.8
[M+K]+ 244.00066 150.3
[M-H]- 204.03022 140.5
[M+Na-2H]- 226.01217 144.0
[M]+ 205.03695 142.3
[M]- 205.03805 142.3
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