CID 177798441

Methyl 1-formylindolizine-3-carboxylate

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC(=O)C1=CC(=C2N1C=CC=C2)C=O
InChI
InChI=1S/C11H9NO3/c1-15-11(14)10-6-8(7-13)9-4-2-3-5-12(9)10/h2-7H,1H3
InChIKey
PSJTUVJAJFYWRO-UHFFFAOYSA-N
Compound name
methyl 1-formylindolizine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05824 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 139.8
[M+Na]+ 226.047458 150.8
[M-H]- 202.050964 144.1
[M+NH4]+ 221.092063 160.8
[M+K]+ 242.021398 148.4
[M+H-H2O]+ 186.055500 133.7
[M+HCOO]- 248.056441 164.6
[M+CH3COO]- 262.072091 184.0
[M+Na-2H]- 224.032906 146.1
[M]+ 203.05769142 144.9
[M]- 203.05878858 144.9
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.