CID 3059020

75999-98-3

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

COC1=CC=C(C=C1)CCCC2CCNCC2

InChI

InChI=1S/C15H23NO/c1-17-15-7-5-13(6-8-15)3-2-4-14-9-11-16-12-10-14/h5-8,14,16H,2-4,9-12H2,1H3

InChIKey

WGVPSALPIAOFFL-UHFFFAOYSA-N

Compound name

4-[3-(4-methoxyphenyl)propyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 233.17796 Da
Monoisotopic Mass: 3.6
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]+	234.185236	157.0
[M+Na]+	256.167178	160.5
[M-H]-	232.170684	159.4
[M+NH4]+	251.211783	172.4
[M+K]+	272.141118	156.5
[M+H-H2O]+	216.175220	148.7
[M+HCOO]-	278.176161	174.1
[M+CH3COO]-	292.191811	189.2
[M+Na-2H]-	254.152626	160.3
[M]+	233.17741142	152.5
[M]-	233.17850858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe