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]+ 276.086656 157.7
[M+Na]+ 298.068598 167.7
[M-H]- 274.072104 162.1
[M+NH4]+ 293.113203 175.7
[M+K]+ 314.042538 166.4
[M+H-H2O]+ 258.076640 151.4
[M+HCOO]- 320.077581 180.0
[M+CH3COO]- 334.093231 198.8
[M+Na-2H]- 296.054046 159.7
[M]+ 275.07883142 165.2
[M]- 275.07992858 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.