CID 3021888

1-methyl-5-phenyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

CN1C(=C(C=N1)N)C2=CC=CC=C2

InChI

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

InChIKey

TXNKCGKRFBAECK-UHFFFAOYSA-N

Compound name

1-methyl-5-phenylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 36
Patents: 173.09529 Da
Monoisotopic Mass: 1.2
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]+	174.102566	135.8
[M+Na]+	196.084508	145.2
[M-H]-	172.088014	140.1
[M+NH4]+	191.129113	154.9
[M+K]+	212.058448	141.7
[M+H-H2O]+	156.092550	127.9
[M+HCOO]-	218.093491	160.2
[M+CH3COO]-	232.109141	149.5
[M+Na-2H]-	194.069956	141.5
[M]+	173.09474142	134.4
[M]-	173.09583858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe