CID 129707661

Ethyl 2-aminoindolizine-1-carboxylate

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 142.5
[M+Na]+ 227.079088 152.4
[M-H]- 203.082594 146.2
[M+NH4]+ 222.123693 163.0
[M+K]+ 243.053028 149.6
[M+H-H2O]+ 187.087130 136.0
[M+HCOO]- 249.088071 167.3
[M+CH3COO]- 263.103721 187.0
[M+Na-2H]- 225.064536 148.1
[M]+ 204.08932142 145.2
[M]- 204.09041858 145.2
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

No patent data available for this compound.