CID 120841

5-phenyl-4,5-dihydro-1h-pyrazole

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

C1C=NNC1C2=CC=CC=C2

InChI

InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-5,7,9,11H,6H2

InChIKey

HNXVMLLBTMWOAM-UHFFFAOYSA-N

Compound name

5-phenyl-4,5-dihydro-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 206
Patents: 146.0844 Da
Monoisotopic Mass: 1.4
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]+	147.09168	129.2
[M+Na]+	169.07362	136.5
[M-H]-	145.07712	131.6
[M+NH4]+	164.11822	148.6
[M+K]+	185.04756	133.2
[M+H-H2O]+	129.08166	121.5
[M+HCOO]-	191.08260	150.5
[M+CH3COO]-	205.09825	142.2
[M+Na-2H]-	167.05907	135.9
[M]+	146.08385	125.0
[M]-	146.08495	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe