CID 165753287

2751620-76-3

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₃

SMILES

CCOC(=O)C1=CN2C=CNC(=O)C2=C1

InChI

InChI=1S/C10H10N2O3/c1-2-15-10(14)7-5-8-9(13)11-3-4-12(8)6-7/h3-6H,2H2,1H3,(H,11,13)

InChIKey

WKAPWHLBIKJXRV-UHFFFAOYSA-N

Compound name

ethyl 1-oxo-2H-pyrrolo[1,2-a]pyrazine-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.06914 Da
Monoisotopic Mass: 0.4
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]+	207.076416	140.8
[M+Na]+	229.058358	151.7
[M-H]-	205.061864	142.4
[M+NH4]+	224.102963	159.6
[M+K]+	245.032298	148.5
[M+H-H2O]+	189.066400	134.0
[M+HCOO]-	251.067341	163.0
[M+CH3COO]-	265.082991	181.3
[M+Na-2H]-	227.043806	147.0
[M]+	206.06859142	144.2
[M]-	206.06968858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.