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 157.7
[M+Na]+ 298.06860 167.7
[M-H]- 274.07210 162.1
[M+NH4]+ 293.11320 175.7
[M+K]+ 314.04254 166.4
[M+H-H2O]+ 258.07664 151.4
[M+HCOO]- 320.07758 180.0
[M+CH3COO]- 334.09323 198.8
[M+Na-2H]- 296.05405 159.7
[M]+ 275.07883 165.2
[M]- 275.07993 165.2
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.