CID 3040480

Pyrazole, 5-amino-3-methyl-1-phenethyl-

Structural Information

Molecular Formula

C₁₂H₁₅N₃

SMILES

CC1=NN(C(=C1)N)CCC2=CC=CC=C2

InChI

InChI=1S/C12H15N3/c1-10-9-12(13)15(14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8,13H2,1H3

InChIKey

GXCIRWLDRLTXOF-UHFFFAOYSA-N

Compound name

5-methyl-2-(2-phenylethyl)pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 201.1266 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]+	202.13388	145.6
[M+Na]+	224.11582	158.7
[M+NH4]+	219.16042	154.0
[M+K]+	240.08976	153.3
[M-H]-	200.11932	149.3
[M+Na-2H]-	222.10127	153.9
[M]+	201.12605	148.4
[M]-	201.12715	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe