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	144.0
[M+Na]+	224.07943	157.8
[M+NH4]+	219.12403	151.4
[M+K]+	240.05337	153.6
[M-H]-	200.08293	145.9
[M+Na-2H]-	222.06488	151.9
[M]+	201.08966	146.4
[M]-	201.09076	146.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.