CID 21048660

3-ethynyl-1h-indazole

Structural Information

Molecular Formula

C₉H₆N₂

SMILES

C#CC1=C2C=CC=CC2=NN1

InChI

InChI=1S/C9H6N2/c1-2-8-7-5-3-4-6-9(7)11-10-8/h1,3-6H,(H,10,11)

InChIKey

STLQPRMPQKRVMW-UHFFFAOYSA-N

Compound name

3-ethynyl-2H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 142.0531 Da
Monoisotopic Mass: 1.8
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]+	143.06038	130.5
[M+Na]+	165.04232	144.3
[M+NH4]+	160.08692	135.9
[M+K]+	181.01626	135.8
[M-H]-	141.04582	123.8
[M+Na-2H]-	163.02777	134.7
[M]+	142.05255	129.8
[M]-	142.05365	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe