CID 12639189

5-methyl-1h-indazole

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

CC1=CC2=C(C=C1)NN=C2

InChI

InChI=1S/C8H8N2/c1-6-2-3-8-7(4-6)5-9-10-8/h2-5H,1H3,(H,9,10)

InChIKey

DCUNRLLJHAWKRZ-UHFFFAOYSA-N

Compound name

5-methyl-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1680
Patents: 132.06874 Da
Monoisotopic Mass: 2.1
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]+	133.076016	123.3
[M+Na]+	155.057958	134.3
[M-H]-	131.061464	124.7
[M+NH4]+	150.102563	145.3
[M+K]+	171.031898	130.7
[M+H-H2O]+	115.066000	117.0
[M+HCOO]-	177.066941	146.4
[M+CH3COO]-	191.082591	138.0
[M+Na-2H]-	153.043406	132.6
[M]+	132.06819142	123.5
[M]-	132.06928858	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe