CID 54691177

116993-42-1

Structural Information

Molecular Formula
C12H15NO4
SMILES
CCOC(=O)C1=C2CCCN2C(=O)C(=C1O)C
InChI
InChI=1S/C12H15NO4/c1-3-17-12(16)9-8-5-4-6-13(8)11(15)7(2)10(9)14/h14H,3-6H2,1-2H3
InChIKey
OUSTXEWBSUEZTG-UHFFFAOYSA-N
Compound name
ethyl 7-hydroxy-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

237.10011 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 149.9
[M+Na]+ 260.08933 159.6
[M-H]- 236.09283 152.5
[M+NH4]+ 255.13393 169.2
[M+K]+ 276.06327 157.1
[M+H-H2O]+ 220.09737 144.3
[M+HCOO]- 282.09831 170.0
[M+CH3COO]- 296.11396 189.8
[M+Na-2H]- 258.07478 152.0
[M]+ 237.09956 152.9
[M]- 237.10066 152.9
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.