CID 5272717

Methyl 2-phenylindolizine-8-carboxylate

Structural Information

Molecular Formula
C16H13NO2
SMILES
COC(=O)C1=CC=CN2C1=CC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO2/c1-19-16(18)14-8-5-9-17-11-13(10-15(14)17)12-6-3-2-4-7-12/h2-11H,1H3
InChIKey
MDPCWYNLSOHPME-UHFFFAOYSA-N
Compound name
methyl 2-phenylindolizine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09464 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 155.5
[M+Na]+ 274.08386 165.4
[M-H]- 250.08736 162.7
[M+NH4]+ 269.12846 174.1
[M+K]+ 290.05780 161.1
[M+H-H2O]+ 234.09190 147.7
[M+HCOO]- 296.09284 179.6
[M+CH3COO]- 310.10849 169.0
[M+Na-2H]- 272.06931 161.2
[M]+ 251.09409 159.0
[M]- 251.09519 159.0
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.