CID 75480354

1542668-25-6

Structural Information

Molecular Formula

C₉H₁₆N₄

SMILES

CC1=CC(=NN1)N2CCC(CC2)N

InChI

InChI=1S/C9H16N4/c1-7-6-9(12-11-7)13-4-2-8(10)3-5-13/h6,8H,2-5,10H2,1H3,(H,11,12)

InChIKey

HQGTWFNPNNGMJL-UHFFFAOYSA-N

Compound name

1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 180.1375 Da
Monoisotopic Mass: 0.7
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]+	181.14478	141.9
[M+Na]+	203.12672	148.2
[M-H]-	179.13022	142.5
[M+NH4]+	198.17132	158.4
[M+K]+	219.10066	144.6
[M+H-H2O]+	163.13476	133.3
[M+HCOO]-	225.13570	159.4
[M+CH3COO]-	239.15135	152.8
[M+Na-2H]-	201.11217	144.4
[M]+	180.13695	134.5
[M]-	180.13805	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe