CID 12244152

3-ethynyl-2-methyl-2h-indazole

Structural Information

Molecular Formula

C₁₀H₈N₂

SMILES

CN1C(=C2C=CC=CC2=N1)C#C

InChI

InChI=1S/C10H8N2/c1-3-10-8-6-4-5-7-9(8)11-12(10)2/h1,4-7H,2H3

InChIKey

PTJXYZNANDPUCC-UHFFFAOYSA-N

Compound name

3-ethynyl-2-methylindazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 156.06874 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]+	157.07602	132.8
[M+Na]+	179.05796	147.3
[M+NH4]+	174.10256	138.4
[M+K]+	195.03190	138.5
[M-H]-	155.06146	126.7
[M+Na-2H]-	177.04341	137.2
[M]+	156.06819	132.4
[M]-	156.06929	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe