CID 342901

36766-57-1

Structural Information

Molecular Formula
C14H15NO3
SMILES
CCOC(=O)C1=C(C(=C2N1C=CC=C2)C(=O)C)C
InChI
InChI=1S/C14H15NO3/c1-4-18-14(17)13-9(2)12(10(3)16)11-7-5-6-8-15(11)13/h5-8H,4H2,1-3H3
InChIKey
MVWRSFQRZVNNPK-UHFFFAOYSA-N
Compound name
ethyl 1-acetyl-2-methylindolizine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 153.6
[M+Na]+ 268.09442 163.8
[M-H]- 244.09792 157.8
[M+NH4]+ 263.13902 173.1
[M+K]+ 284.06836 161.3
[M+H-H2O]+ 228.10246 147.3
[M+HCOO]- 290.10340 176.3
[M+CH3COO]- 304.11905 195.0
[M+Na-2H]- 266.07987 156.4
[M]+ 245.10465 159.5
[M]- 245.10575 159.5
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.