CID 12735789

2418658-70-3

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

CNC1=CC=NN1C2=CC=CC=C2

InChI

InChI=1S/C10H11N3/c1-11-10-7-8-12-13(10)9-5-3-2-4-6-9/h2-8,11H,1H3

InChIKey

LHROKLSNUJKPQF-UHFFFAOYSA-N

Compound name

N-methyl-2-phenylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 173.09529 Da
Monoisotopic Mass: 2.2
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]+	174.10257	136.6
[M+Na]+	196.08451	150.0
[M+NH4]+	191.12911	145.4
[M+K]+	212.05845	144.6
[M-H]-	172.08801	140.4
[M+Na-2H]-	194.06996	146.1
[M]+	173.09474	139.5
[M]-	173.09584	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe