CID 13334060

4-benzoyl-1-methyl-1h-pyrazole

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

CN1C=C(C=N1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H10N2O/c1-13-8-10(7-12-13)11(14)9-5-3-2-4-6-9/h2-8H,1H3

InChIKey

YGZWBAHIQAMPQF-UHFFFAOYSA-N

Compound name

(1-methylpyrazol-4-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 186.07932 Da
Monoisotopic Mass: 1.6
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]+	187.08660	138.6
[M+Na]+	209.06854	147.4
[M-H]-	185.07204	143.1
[M+NH4]+	204.11314	157.3
[M+K]+	225.04248	144.6
[M+H-H2O]+	169.07658	130.6
[M+HCOO]-	231.07752	161.6
[M+CH3COO]-	245.09317	181.4
[M+Na-2H]-	207.05399	143.8
[M]+	186.07877	138.9
[M]-	186.07987	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe