CID 115011279

2-ethynyl-1-(propan-2-yl)-1h-imidazole

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

CC(C)N1C=CN=C1C#C

InChI

InChI=1S/C8H10N2/c1-4-8-9-5-6-10(8)7(2)3/h1,5-7H,2-3H3

InChIKey

PQLDQAHXEOJINQ-UHFFFAOYSA-N

Compound name

2-ethynyl-1-propan-2-ylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 134.0844 Da
Monoisotopic Mass: 1.0
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]+	135.09168	127.9
[M+Na]+	157.07362	139.6
[M+NH4]+	152.11822	132.5
[M+K]+	173.04756	132.5
[M-H]-	133.07712	120.4
[M+Na-2H]-	155.05907	130.8
[M]+	134.08385	126.5
[M]-	134.08495	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe