CID 53256416

438056-67-8

Structural Information

Molecular Formula

C₁₁H₂₂N₂O

SMILES

C1CN(CCC1CN)C2CCOCC2

InChI

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

InChIKey

CNAWWTRDALPJDO-UHFFFAOYSA-N

Compound name

[1-(oxan-4-yl)piperidin-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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]+	199.180496	148.6
[M+Na]+	221.162438	150.4
[M-H]-	197.165944	152.1
[M+NH4]+	216.207043	163.9
[M+K]+	237.136378	149.4
[M+H-H2O]+	181.170480	140.4
[M+HCOO]-	243.171421	163.6
[M+CH3COO]-	257.187071	185.1
[M+Na-2H]-	219.147886	151.5
[M]+	198.17267142	139.2
[M]-	198.17376858	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe