CID 2828712

3-methyl-1-pentyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₉H₁₇N₃

SMILES

CCCCCN1C(=CC(=N1)C)N

InChI

InChI=1S/C9H17N3/c1-3-4-5-6-12-9(10)7-8(2)11-12/h7H,3-6,10H2,1-2H3

InChIKey

OPUVWTMPLSEWQX-UHFFFAOYSA-N

Compound name

5-methyl-2-pentylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 167.14224 Da
Monoisotopic Mass: 2.0
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	138.6
[M+Na]+	190.13146	147.0
[M-H]-	166.13496	139.3
[M+NH4]+	185.17606	158.4
[M+K]+	206.10540	144.8
[M+H-H2O]+	150.13950	131.4
[M+HCOO]-	212.14044	161.7
[M+CH3COO]-	226.15609	183.2
[M+Na-2H]-	188.11691	142.3
[M]+	167.14169	139.3
[M]-	167.14279	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe