CID 10562026

144689-93-0

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₃

SMILES

CCCC1=NC(=C(N1)C(C)(C)O)C(=O)OCC

InChI

InChI=1S/C12H20N2O3/c1-5-7-8-13-9(11(15)17-6-2)10(14-8)12(3,4)16/h16H,5-7H2,1-4H3,(H,13,14)

InChIKey

KZBJJAFGNMRRHN-UHFFFAOYSA-N

Compound name

ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 193
Patents: 240.1474 Da
Monoisotopic Mass: 1.5
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]+	241.15468	157.1
[M+Na]+	263.13662	165.5
[M+NH4]+	258.18122	161.7
[M+K]+	279.11056	164.2
[M-H]-	239.14012	154.1
[M+Na-2H]-	261.12207	158.6
[M]+	240.14685	157.1
[M]-	240.14795	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe