CID 483254

113411-43-1

Structural Information

Molecular Formula

C₉H₁₁N₃O

SMILES

CC1=CC(=NN1C)C2=NOC(=C2)C

InChI

InChI=1S/C9H11N3O/c1-6-4-8(10-12(6)3)9-5-7(2)13-11-9/h4-5H,1-3H3

InChIKey

IDMVPLIFTRQSPG-UHFFFAOYSA-N

Compound name

3-(1,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 177.09021 Da
Monoisotopic Mass: 1.2
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]+	178.09749	134.3
[M+Na]+	200.07943	146.8
[M-H]-	176.08293	139.3
[M+NH4]+	195.12403	153.4
[M+K]+	216.05337	145.6
[M+H-H2O]+	160.08747	127.0
[M+HCOO]-	222.08841	158.6
[M+CH3COO]-	236.10406	149.6
[M+Na-2H]-	198.06488	139.0
[M]+	177.08966	139.4
[M]-	177.09076	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe