CID 80812

6401-97-4

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

CC1=NN(C(=N)C1)C2=CC=CC=C2

InChI

InChI=1S/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3

InChIKey

VOQQGERWJRIHIK-UHFFFAOYSA-N

Compound name

5-methyl-2-phenyl-4H-pyrazol-3-imine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 25
Patents: 173.09529 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]+	174.10257	137.4
[M+Na]+	196.08451	150.3
[M+NH4]+	191.12911	145.9
[M+K]+	212.05845	145.2
[M-H]-	172.08801	140.9
[M+Na-2H]-	194.06996	145.6
[M]+	173.09474	140.1
[M]-	173.09584	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe