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: 1116
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]+	143.154276	134.4
[M+Na]+	165.136218	138.9
[M-H]-	141.139724	135.4
[M+NH4]+	160.180823	154.0
[M+K]+	181.110158	138.0
[M+H-H2O]+	125.144260	128.0
[M+HCOO]-	187.145201	152.9
[M+CH3COO]-	201.160851	178.1
[M+Na-2H]-	163.121666	137.4
[M]+	142.14645142	128.0
[M]-	142.14754858	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe