CID 123457

2-isopropylimidazole

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CC(C)C1=NC=CN1

InChI

InChI=1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)

InChIKey

FUOZJYASZOSONT-UHFFFAOYSA-N

Compound name

2-propan-2-yl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 9607
Patents: 110.0844 Da
Monoisotopic Mass: 1.2
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]+	111.091676	122.2
[M+Na]+	133.073618	130.2
[M-H]-	109.077124	121.9
[M+NH4]+	128.118223	143.5
[M+K]+	149.047558	128.9
[M+H-H2O]+	93.081660	115.8
[M+HCOO]-	155.082601	143.4
[M+CH3COO]-	169.098251	166.0
[M+Na-2H]-	131.059066	127.9
[M]+	110.08385142	120.2
[M]-	110.08494858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe