CID 4254149

159470-82-3

Structural Information

Molecular Formula

C₈H₁₁N₃O₂

SMILES

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

InChI

InChI=1S/C8H11N3O2/c1-2-13-8(12)7(9)6-5-10-3-4-11-6/h3-5,7H,2,9H2,1H3

InChIKey

OTAYOVYMOOSNMM-UHFFFAOYSA-N

Compound name

ethyl 2-amino-2-pyrazin-2-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 181.08513 Da
Monoisotopic Mass: -0.8
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]+	182.09241	138.6
[M+Na]+	204.07435	145.3
[M-H]-	180.07785	139.0
[M+NH4]+	199.11895	155.0
[M+K]+	220.04829	144.3
[M+H-H2O]+	164.08239	130.7
[M+HCOO]-	226.08333	160.0
[M+CH3COO]-	240.09898	182.1
[M+Na-2H]-	202.05980	144.3
[M]+	181.08458	138.2
[M]-	181.08568	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe