CID 205203

17605-86-6

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

CC1=CC(=NN1C(=O)C2=CN=CC=C2)C

InChI

InChI=1S/C11H11N3O/c1-8-6-9(2)14(13-8)11(15)10-4-3-5-12-7-10/h3-7H,1-2H3

InChIKey

NWMWQSWQZUSDIO-UHFFFAOYSA-N

Compound name

(3,5-dimethylpyrazol-1-yl)-pyridin-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 201.09021 Da
Monoisotopic Mass: 1.5
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]+	202.09749	143.2
[M+Na]+	224.07943	153.1
[M-H]-	200.08293	146.7
[M+NH4]+	219.12403	160.3
[M+K]+	240.05337	150.1
[M+H-H2O]+	184.08747	134.6
[M+HCOO]-	246.08841	164.9
[M+CH3COO]-	260.10406	184.8
[M+Na-2H]-	222.06488	147.6
[M]+	201.08966	144.4
[M]-	201.09076	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe