CID 58465607

1404364-65-3

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CCOC(=O)C1=CN2CCNCC2=C1

InChI

InChI=1S/C10H14N2O2/c1-2-14-10(13)8-5-9-6-11-3-4-12(9)7-8/h5,7,11H,2-4,6H2,1H3

InChIKey

FVKLZYXTNPYRGL-UHFFFAOYSA-N

Compound name

ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 194.10553 Da
Monoisotopic Mass: 0.0
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]+	195.11281	143.3
[M+Na]+	217.09475	150.1
[M-H]-	193.09825	143.2
[M+NH4]+	212.13935	162.1
[M+K]+	233.06869	147.6
[M+H-H2O]+	177.10279	136.3
[M+HCOO]-	239.10373	160.8
[M+CH3COO]-	253.11938	179.7
[M+Na-2H]-	215.08020	147.1
[M]+	194.10498	141.2
[M]-	194.10608	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe