CID 53256375

1286274-47-2

Structural Information

Molecular Formula

C₁₁H₂₂N₂O

SMILES

C1CN(CCC1N)CC2CCOCC2

InChI

InChI=1S/C11H22N2O/c12-11-1-5-13(6-2-11)9-10-3-7-14-8-4-10/h10-11H,1-9,12H2

InChIKey

WPRDDJXDDYCXFJ-UHFFFAOYSA-N

Compound name

1-(oxan-4-ylmethyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 198.17322 Da
Monoisotopic Mass: 0.5
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]+	199.18050	148.6
[M+Na]+	221.16244	150.4
[M-H]-	197.16594	152.1
[M+NH4]+	216.20704	163.9
[M+K]+	237.13638	149.4
[M+H-H2O]+	181.17048	140.4
[M+HCOO]-	243.17142	163.6
[M+CH3COO]-	257.18707	185.1
[M+Na-2H]-	219.14789	151.5
[M]+	198.17267	139.2
[M]-	198.17377	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe