CID 210142

Brn 0511149

Structural Information

Molecular Formula

C₉H₁₇N₃

SMILES

CCC1=NN(C(=C1C)N)C(C)C

InChI

InChI=1S/C9H17N3/c1-5-8-7(4)9(10)12(11-8)6(2)3/h6H,5,10H2,1-4H3

InChIKey

AMBTZENTLFRRQB-UHFFFAOYSA-N

Compound name

5-ethyl-4-methyl-2-propan-2-ylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.14224 Da
Monoisotopic Mass: 1.8
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]+	168.14952	138.7
[M+Na]+	190.13146	149.3
[M+NH4]+	185.17606	146.1
[M+K]+	206.10540	146.1
[M-H]-	166.13496	139.4
[M+Na-2H]-	188.11691	142.8
[M]+	167.14169	140.2
[M]-	167.14279	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.