CID 231905

21867-69-6

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

COC1=CC=C(C=C1)CN2CCNCC2

InChI

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

InChIKey

MGLUVVBFISROAH-UHFFFAOYSA-N

Compound name

1-[(4-methoxyphenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 623
Patents: 206.1419 Da
Monoisotopic Mass: 1.1
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]+	207.149176	148.3
[M+Na]+	229.131118	153.2
[M-H]-	205.134624	149.8
[M+NH4]+	224.175723	163.4
[M+K]+	245.105058	149.6
[M+H-H2O]+	189.139160	139.6
[M+HCOO]-	251.140101	165.1
[M+CH3COO]-	265.155751	182.9
[M+Na-2H]-	227.116566	153.3
[M]+	206.14135142	143.3
[M]-	206.14244858	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe