CID 10774442

52217-35-3

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

CC1=NN(C(=C1C=O)N)C2=CC=CC=C2

InChI

InChI=1S/C11H11N3O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-7H,12H2,1H3

InChIKey

USUZLTADOLMXDK-UHFFFAOYSA-N

Compound name

5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 201.09021 Da
Monoisotopic Mass: 2.0
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	142.7
[M+Na]+	224.07943	152.9
[M-H]-	200.08293	147.4
[M+NH4]+	219.12403	160.9
[M+K]+	240.05337	149.0
[M+H-H2O]+	184.08747	134.8
[M+HCOO]-	246.08841	167.2
[M+CH3COO]-	260.10406	187.1
[M+Na-2H]-	222.06488	147.2
[M]+	201.08966	142.8
[M]-	201.09076	142.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.