CID 129707661

2361645-62-5

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CCOC(=O)C1=C2C=CC=CN2C=C1N

InChI

InChI=1S/C11H12N2O2/c1-2-15-11(14)10-8(12)7-13-6-4-3-5-9(10)13/h3-7H,2,12H2,1H3

InChIKey

JHTBIGMLTCRRNA-UHFFFAOYSA-N

Compound name

ethyl 2-aminoindolizine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.08987 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.09715	142.5
[M+Na]+	227.07909	152.4
[M-H]-	203.08259	146.2
[M+NH4]+	222.12369	163.0
[M+K]+	243.05303	149.6
[M+H-H2O]+	187.08713	136.0
[M+HCOO]-	249.08807	167.3
[M+CH3COO]-	263.10372	187.0
[M+Na-2H]-	225.06454	148.1
[M]+	204.08932	145.2
[M]-	204.09042	145.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.