CID 21031490

51721-21-2

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

CCOC(=O)C1=C(NC=N1)C(C)(C)C

InChI

InChI=1S/C10H16N2O2/c1-5-14-9(13)7-8(10(2,3)4)12-6-11-7/h6H,5H2,1-4H3,(H,11,12)

InChIKey

ZWLWFCKNFSOIEA-UHFFFAOYSA-N

Compound name

ethyl 5-tert-butyl-1H-imidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 196.12119 Da
Monoisotopic Mass: 2.3
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]+	197.12847	145.3
[M+Na]+	219.11041	154.8
[M+NH4]+	214.15501	151.3
[M+K]+	235.08435	152.9
[M-H]-	195.11391	143.4
[M+Na-2H]-	217.09586	148.6
[M]+	196.12064	145.8
[M]-	196.12174	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe