CID 21503744

177760-04-2

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CCOC(=O)C1=CN=C(N1C)N

InChI

InChI=1S/C7H11N3O2/c1-3-12-6(11)5-4-9-7(8)10(5)2/h4H,3H2,1-2H3,(H2,8,9)

InChIKey

CXSLXRSUUJLZBT-UHFFFAOYSA-N

Compound name

ethyl 2-amino-3-methylimidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 169.08513 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]+	170.09241	135.6
[M+Na]+	192.07435	145.3
[M+NH4]+	187.11895	141.8
[M+K]+	208.04829	143.3
[M-H]-	168.07785	135.0
[M+Na-2H]-	190.05980	139.3
[M]+	169.08458	136.3
[M]-	169.08568	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe