CID 3078468

121306-58-9

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

CC1CC=NN1C(=O)C2=CN=CC=C2

InChI

InChI=1S/C10H11N3O/c1-8-4-6-12-13(8)10(14)9-3-2-5-11-7-9/h2-3,5-8H,4H2,1H3

InChIKey

KKMMIKKVFRCZBO-UHFFFAOYSA-N

Compound name

(3-methyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 49
Patents: 189.09021 Da
Monoisotopic Mass: 0.2
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]+	190.09749	141.2
[M+Na]+	212.07943	153.9
[M+NH4]+	207.12403	148.7
[M+K]+	228.05337	149.9
[M-H]-	188.08293	142.8
[M+Na-2H]-	210.06488	148.7
[M]+	189.08966	143.3
[M]-	189.09076	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe