CID 69281542

2309466-55-3

Structural Information

Molecular Formula

C₁₀H₁₈N₄

SMILES

CC1=C(C=NN1C2CCN(CC2)C)N

InChI

InChI=1S/C10H18N4/c1-8-10(11)7-12-14(8)9-3-5-13(2)6-4-9/h7,9H,3-6,11H2,1-2H3

InChIKey

SMFCMJXDYRFFQL-UHFFFAOYSA-N

Compound name

5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 194.15315 Da
Monoisotopic Mass: 0.4
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]+	195.16043	146.3
[M+Na]+	217.14237	153.6
[M-H]-	193.14587	148.5
[M+NH4]+	212.18697	163.3
[M+K]+	233.11631	150.6
[M+H-H2O]+	177.15041	137.5
[M+HCOO]-	239.15135	164.9
[M+CH3COO]-	253.16700	186.7
[M+Na-2H]-	215.12782	147.9
[M]+	194.15260	141.5
[M]-	194.15370	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe