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

17
Patents

237.10011 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 149.9
[M+Na]+ 260.089328 159.6
[M-H]- 236.092834 152.5
[M+NH4]+ 255.133933 169.2
[M+K]+ 276.063268 157.1
[M+H-H2O]+ 220.097370 144.3
[M+HCOO]- 282.098311 170.0
[M+CH3COO]- 296.113961 189.8
[M+Na-2H]- 258.074776 152.0
[M]+ 237.09956142 152.9
[M]- 237.10065858 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

patents stripe