CID 57486047

2244592-57-0

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

CCOC(=O)C(CC1=NC=CC=N1)N

InChI

InChI=1S/C9H13N3O2/c1-2-14-9(13)7(10)6-8-11-4-3-5-12-8/h3-5,7H,2,6,10H2,1H3

InChIKey

PLIIKNFGDFKPLE-UHFFFAOYSA-N

Compound name

ethyl 2-amino-3-pyrimidin-2-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 195.10077 Da
Monoisotopic Mass: -0.1
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]+	196.10805	142.6
[M+Na]+	218.08999	152.9
[M+NH4]+	213.13459	148.8
[M+K]+	234.06393	148.6
[M-H]-	194.09349	142.6
[M+Na-2H]-	216.07544	147.9
[M]+	195.10022	143.7
[M]-	195.10132	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe