CID 3686610

Dimethyl 3-acetyl-1,2-indolizinedicarboxylate

Structural Information

Molecular Formula
C14H13NO5
SMILES
CC(=O)C1=C(C(=C2N1C=CC=C2)C(=O)OC)C(=O)OC
InChI
InChI=1S/C14H13NO5/c1-8(16)12-11(14(18)20-3)10(13(17)19-2)9-6-4-5-7-15(9)12/h4-7H,1-3H3
InChIKey
RAJOKOQGPHWNBH-UHFFFAOYSA-N
Compound name
dimethyl 3-acetylindolizine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08666 158.9
[M+Na]+ 298.06860 170.3
[M+NH4]+ 293.11320 164.5
[M+K]+ 314.04254 168.4
[M-H]- 274.07210 158.0
[M+Na-2H]- 296.05405 162.1
[M]+ 275.07883 159.9
[M]- 275.07993 159.9
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.