CID 24708477

2866323-16-0

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

COC1=CC=CC=C1N2CCC(CC2)N

InChI

InChI=1S/C12H18N2O/c1-15-12-5-3-2-4-11(12)14-8-6-10(13)7-9-14/h2-5,10H,6-9,13H2,1H3

InChIKey

UMGLLRUDCQFRQU-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 206.1419 Da
Monoisotopic Mass: 1.6
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]+	207.14918	147.3
[M+Na]+	229.13112	152.7
[M-H]-	205.13462	151.5
[M+NH4]+	224.17572	164.2
[M+K]+	245.10506	149.8
[M+H-H2O]+	189.13916	139.3
[M+HCOO]-	251.14010	167.3
[M+CH3COO]-	265.15575	188.1
[M+Na-2H]-	227.11657	151.4
[M]+	206.14135	142.4
[M]-	206.14245	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe