CID 21278307

1235439-19-6

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CC(C)NC1CCCNC1

InChI

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

InChIKey

XAXUUHPCEVNZFT-UHFFFAOYSA-N

Compound name

N-propan-2-ylpiperidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
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	134.7
[M+Na]+	165.13622	137.8
[M-H]-	141.13972	134.3
[M+NH4]+	160.18082	153.5
[M+K]+	181.11016	136.3
[M+H-H2O]+	125.14426	128.2
[M+HCOO]-	187.14520	152.3
[M+CH3COO]-	201.16085	175.0
[M+Na-2H]-	163.12167	138.9
[M]+	142.14645	127.0
[M]-	142.14755	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe