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]+ 220.06044 142.5
[M+Na]+ 242.04238 153.4
[M-H]- 218.04588 146.8
[M+NH4]+ 237.08698 163.1
[M+K]+ 258.01632 151.4
[M+H-H2O]+ 202.05042 137.0
[M+HCOO]- 264.05136 164.7
[M+CH3COO]- 278.06701 188.3
[M+Na-2H]- 240.02783 145.7
[M]+ 219.05261 146.3
[M]- 219.05371 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.