CID 137964258

Ethyl 2-amino-4-(pyrazin-2-yl)butanoate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂

SMILES

CCOC(=O)C(CCC1=NC=CN=C1)N

InChI

InChI=1S/C10H15N3O2/c1-2-15-10(14)9(11)4-3-8-7-12-5-6-13-8/h5-7,9H,2-4,11H2,1H3

InChIKey

KTGGVQOPOKOFEL-UHFFFAOYSA-N

Compound name

ethyl 2-amino-4-pyrazin-2-ylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 209.11642 Da
Monoisotopic Mass: -0.2
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]+	210.123696	147.7
[M+Na]+	232.105638	153.6
[M-H]-	208.109144	147.7
[M+NH4]+	227.150243	163.0
[M+K]+	248.079578	152.1
[M+H-H2O]+	192.113680	139.4
[M+HCOO]-	254.114621	168.4
[M+CH3COO]-	268.130271	188.1
[M+Na-2H]-	230.091086	152.3
[M]+	209.11587142	148.0
[M]-	209.11696858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe