CID 155978339

6-ethynyl-1-methyl-1h-indazole

Structural Information

Molecular Formula

C₁₀H₈N₂

SMILES

CN1C2=C(C=CC(=C2)C#C)C=N1

InChI

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

InChIKey

QCGJEOPWEDNEDO-UHFFFAOYSA-N

Compound name

6-ethynyl-1-methylindazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.06874 Da
Monoisotopic Mass: 2.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.