CID 86049095

4-iodo-2-isopropyl-1-methyl-1h-imidazole

Structural Information

Molecular Formula

C₇H₁₁IN₂

SMILES

CC(C)C1=NC(=CN1C)I

InChI

InChI=1S/C7H11IN2/c1-5(2)7-9-6(8)4-10(7)3/h4-5H,1-3H3

InChIKey

DAGVILBUVLFITM-UHFFFAOYSA-N

Compound name

4-iodo-1-methyl-2-propan-2-ylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 249.9967 Da
Monoisotopic Mass: 1.9
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]+	251.00398	137.1
[M+Na]+	272.98592	141.5
[M+NH4]+	268.03052	140.9
[M+K]+	288.95986	141.0
[M-H]-	248.98942	131.5
[M+Na-2H]-	270.97137	130.0
[M]+	249.99615	135.0
[M]-	249.99725	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe