CID 547357

126002-31-1

Structural Information

Molecular Formula

C₁₇H₂₈N₂O

SMILES

CC(CC1=CC=C(C=C1)OCCN2CCCCC2)NC

InChI

InChI=1S/C17H28N2O/c1-15(18-2)14-16-6-8-17(9-7-16)20-13-12-19-10-4-3-5-11-19/h6-9,15,18H,3-5,10-14H2,1-2H3

InChIKey

OOXCCSGQAGHINY-UHFFFAOYSA-N

Compound name

N-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.22015 Da
Monoisotopic Mass: 3.0
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]+	277.227426	169.4
[M+Na]+	299.209368	171.2
[M-H]-	275.212874	172.7
[M+NH4]+	294.253973	183.2
[M+K]+	315.183308	168.0
[M+H-H2O]+	259.217410	160.1
[M+HCOO]-	321.218351	187.3
[M+CH3COO]-	335.234001	203.5
[M+Na-2H]-	297.194816	171.3
[M]+	276.21960142	166.1
[M]-	276.22069858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.