CID 428285

1-(3-methoxybenzyl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

COC1=CC=CC(=C1)CN2CCNCC2

InChI

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

InChIKey

BYWNAISVQHRFEE-UHFFFAOYSA-N

Compound name

1-[(3-methoxyphenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 117
Patents: 206.1419 Da
Monoisotopic Mass: 1.2
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	148.9
[M+Na]+	229.13112	161.4
[M+NH4]+	224.17572	157.1
[M+K]+	245.10506	154.2
[M-H]-	205.13462	151.8
[M+Na-2H]-	227.11657	156.2
[M]+	206.14135	151.4
[M]-	206.14245	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe