CID 21941707

373824-23-8

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

C1CCN(CC1)CCOC2=CC=CC(=C2)N

InChI

InChI=1S/C13H20N2O/c14-12-5-4-6-13(11-12)16-10-9-15-7-2-1-3-8-15/h4-6,11H,1-3,7-10,14H2

InChIKey

FLRCQMIOFFBPAU-UHFFFAOYSA-N

Compound name

3-(2-piperidin-1-ylethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 220.15756 Da
Monoisotopic Mass: 2.1
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	151.4
[M+Na]+	243.14678	155.4
[M-H]-	219.15028	155.0
[M+NH4]+	238.19138	167.4
[M+K]+	259.12072	152.3
[M+H-H2O]+	203.15482	142.9
[M+HCOO]-	265.15576	171.1
[M+CH3COO]-	279.17141	190.0
[M+Na-2H]-	241.13223	155.7
[M]+	220.15701	146.4
[M]-	220.15811	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe