CID 54594205

1315366-62-1

Structural Information

Molecular Formula

C₁₁H₂₂N₂O

SMILES

CNC1CCN(CC1)CC2CCOC2

InChI

InChI=1S/C11H22N2O/c1-12-11-2-5-13(6-3-11)8-10-4-7-14-9-10/h10-12H,2-9H2,1H3

InChIKey

PNFYNBBBJIYYNV-UHFFFAOYSA-N

Compound name

N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 198.17322 Da
Monoisotopic Mass: 0.6
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	147.8
[M+Na]+	221.16244	150.5
[M-H]-	197.16594	152.1
[M+NH4]+	216.20704	165.3
[M+K]+	237.13638	149.8
[M+H-H2O]+	181.17048	140.1
[M+HCOO]-	243.17142	165.6
[M+CH3COO]-	257.18707	185.3
[M+Na-2H]-	219.14789	150.3
[M]+	198.17267	141.5
[M]-	198.17377	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe