CID 838368

Ethyl 3-acetyl-1-indolizinecarboxylate

Structural Information

Molecular Formula
C13H13NO3
SMILES
CCOC(=O)C1=C2C=CC=CN2C(=C1)C(=O)C
InChI
InChI=1S/C13H13NO3/c1-3-17-13(16)10-8-12(9(2)15)14-7-5-4-6-11(10)14/h4-8H,3H2,1-2H3
InChIKey
BEZNZGODEBOELN-UHFFFAOYSA-N
Compound name
ethyl 3-acetylindolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

231.08954 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 149.5
[M+Na]+ 254.07876 159.3
[M-H]- 230.08226 153.6
[M+NH4]+ 249.12336 169.3
[M+K]+ 270.05270 157.0
[M+H-H2O]+ 214.08680 143.1
[M+HCOO]- 276.08774 172.6
[M+CH3COO]- 290.10339 190.8
[M+Na-2H]- 252.06421 153.5
[M]+ 231.08899 154.7
[M]- 231.09009 154.7
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

patents stripe