CID 44119225

1-(1-methyl-1h-indazol-4-yl)ethanone

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CC(=O)C1=C2C=NN(C2=CC=C1)C

InChI

InChI=1S/C10H10N2O/c1-7(13)8-4-3-5-10-9(8)6-11-12(10)2/h3-6H,1-2H3

InChIKey

JWKGENUMGZSMLE-UHFFFAOYSA-N

Compound name

1-(1-methylindazol-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 174.07932 Da
Monoisotopic Mass: 1.3
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]+	175.08660	134.5
[M+Na]+	197.06854	145.9
[M-H]-	173.07204	137.5
[M+NH4]+	192.11314	155.6
[M+K]+	213.04248	143.0
[M+H-H2O]+	157.07658	127.8
[M+HCOO]-	219.07752	157.7
[M+CH3COO]-	233.09317	181.1
[M+Na-2H]-	195.05399	141.2
[M]+	174.07877	137.8
[M]-	174.07987	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe