CID 3163333

1-(propan-2-yl)piperidin-4-amine

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CC(C)N1CCC(CC1)N

InChI

InChI=1S/C8H18N2/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6,9H2,1-2H3

InChIKey

ZRQQXFMGYSOKDF-UHFFFAOYSA-N

Compound name

1-propan-2-ylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1118
Patents: 142.147 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]+	143.15428	134.4
[M+Na]+	165.13622	138.9
[M-H]-	141.13972	135.4
[M+NH4]+	160.18082	154.0
[M+K]+	181.11016	138.0
[M+H-H2O]+	125.14426	128.0
[M+HCOO]-	187.14520	152.9
[M+CH3COO]-	201.16085	178.1
[M+Na-2H]-	163.12167	137.4
[M]+	142.14645	128.0
[M]-	142.14755	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe