CID 18774

3-methyl-5-phenyl-1h-pyrazole

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

CC1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)

InChIKey

QHRSESMSOJZMCO-UHFFFAOYSA-N

Compound name

5-methyl-3-phenyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 16
References: 1269
Patents: 158.0844 Da
Monoisotopic Mass: 2.3
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]+	159.091676	132.0
[M+Na]+	181.073618	140.9
[M-H]-	157.077124	135.1
[M+NH4]+	176.118223	151.3
[M+K]+	197.047558	137.0
[M+H-H2O]+	141.081660	124.5
[M+HCOO]-	203.082601	154.4
[M+CH3COO]-	217.098251	145.5
[M+Na-2H]-	179.059066	138.5
[M]+	158.08385142	130.0
[M]-	158.08494858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe