CID 88852785

5-ethynyl-1,2-dimethyl-1h-imidazole

Structural Information

Molecular Formula

C₇H₈N₂

SMILES

CC1=NC=C(N1C)C#C

InChI

InChI=1S/C7H8N2/c1-4-7-5-8-6(2)9(7)3/h1,5H,2-3H3

InChIKey

FLBRASZYLXQMBC-UHFFFAOYSA-N

Compound name

5-ethynyl-1,2-dimethylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 120.06875 Da
Monoisotopic Mass: 0.7
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]+	121.07603	122.8
[M+Na]+	143.05797	135.3
[M+NH4]+	138.10257	127.7
[M+K]+	159.03191	128.0
[M-H]-	119.06147	115.6
[M+Na-2H]-	141.04342	126.1
[M]+	120.06820	121.7
[M]-	120.06930	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe