CID 515952

Methyl 1-methyl-2,3-dioxoindoline-5-carboxylate

Structural Information

Molecular Formula
C11H9NO4
SMILES
CN1C2=C(C=C(C=C2)C(=O)OC)C(=O)C1=O
InChI
InChI=1S/C11H9NO4/c1-12-8-4-3-6(11(15)16-2)5-7(8)9(13)10(12)14/h3-5H,1-2H3
InChIKey
HENVEYFKOOGIOO-UHFFFAOYSA-N
Compound name
methyl 1-methyl-2,3-dioxoindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

219.05316 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.060436 142.5
[M+Na]+ 242.042378 153.4
[M-H]- 218.045884 146.8
[M+NH4]+ 237.086983 163.1
[M+K]+ 258.016318 151.4
[M+H-H2O]+ 202.050420 137.0
[M+HCOO]- 264.051361 164.7
[M+CH3COO]- 278.067011 188.3
[M+Na-2H]- 240.027826 145.7
[M]+ 219.05261142 146.3
[M]- 219.05370858 146.3
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

No patent data available for this compound.