CID 11564798

902454-26-6

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

CN1CCC(CC1)COC2=CC=C(C=C2)N

InChI

InChI=1S/C13H20N2O/c1-15-8-6-11(7-9-15)10-16-13-4-2-12(14)3-5-13/h2-5,11H,6-10,14H2,1H3

InChIKey

WZRKMUXDLMLRJV-UHFFFAOYSA-N

Compound name

4-[(1-methylpiperidin-4-yl)methoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 220.15756 Da
Monoisotopic Mass: 2.0
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]+	221.16484	151.8
[M+Na]+	243.14678	156.7
[M-H]-	219.15028	155.8
[M+NH4]+	238.19138	168.1
[M+K]+	259.12072	153.6
[M+H-H2O]+	203.15482	143.5
[M+HCOO]-	265.15576	171.5
[M+CH3COO]-	279.17141	191.2
[M+Na-2H]-	241.13223	155.3
[M]+	220.15701	147.2
[M]-	220.15811	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe