CID 17039497

1172908-58-5

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

COC1=C(C=C(C=C1)CC2CCNCC2)OC

InChI

InChI=1S/C14H21NO2/c1-16-13-4-3-12(10-14(13)17-2)9-11-5-7-15-8-6-11/h3-4,10-11,15H,5-9H2,1-2H3

InChIKey

CYUJXLCFTXECTM-UHFFFAOYSA-N

Compound name

4-[(3,4-dimethoxyphenyl)methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 235.15723 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]+	236.16451	156.1
[M+Na]+	258.14645	168.4
[M+NH4]+	253.19105	164.3
[M+K]+	274.12039	161.2
[M-H]-	234.14995	159.4
[M+Na-2H]-	256.13190	162.7
[M]+	235.15668	158.7
[M]-	235.15778	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe