CID 137947

1-methyl-5-phenyl-1h-pyrazolehydrochloride

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

CN1C(=CC=N1)C2=CC=CC=C2

InChI

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

InChIKey

NLHYNCJBWXKZGP-UHFFFAOYSA-N

Compound name

1-methyl-5-phenylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 176
Patents: 158.0844 Da
Monoisotopic Mass: 1.9
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]+	159.09168	132.7
[M+Na]+	181.07362	147.4
[M+NH4]+	176.11822	142.1
[M+K]+	197.04756	141.6
[M-H]-	157.07712	136.3
[M+Na-2H]-	179.05907	142.5
[M]+	158.08385	135.9
[M]-	158.08495	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe