CID 576372

3,3-dimethyl-3h-indazole

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

CC1(C2=CC=CC=C2N=N1)C

InChI

InChI=1S/C9H10N2/c1-9(2)7-5-3-4-6-8(7)10-11-9/h3-6H,1-2H3

InChIKey

RZULCELCPQCEAC-UHFFFAOYSA-N

Compound name

3,3-dimethylindazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 146.0844 Da
Monoisotopic Mass: 2.3
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]+	147.091676	128.3
[M+Na]+	169.073618	139.2
[M-H]-	145.077124	130.9
[M+NH4]+	164.118223	152.3
[M+K]+	185.047558	136.7
[M+H-H2O]+	129.081660	121.9
[M+HCOO]-	191.082601	151.1
[M+CH3COO]-	205.098251	143.1
[M+Na-2H]-	167.059066	137.4
[M]+	146.08385142	129.5
[M]-	146.08494858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe