CID 2737385

1-(2,4,6-trimethylbenzyl)piperazine

Structural Information

Molecular Formula

C₁₄H₂₂N₂

SMILES

CC1=CC(=C(C(=C1)C)CN2CCNCC2)C

InChI

InChI=1S/C14H22N2/c1-11-8-12(2)14(13(3)9-11)10-16-6-4-15-5-7-16/h8-9,15H,4-7,10H2,1-3H3

InChIKey

FOERNUXLFALRDN-UHFFFAOYSA-N

Compound name

1-[(2,4,6-trimethylphenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 67
Patents: 218.1783 Da
Monoisotopic Mass: 2.2
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]+	219.18558	154.3
[M+Na]+	241.16752	167.7
[M+NH4]+	236.21212	162.9
[M+K]+	257.14146	159.9
[M-H]-	217.17102	157.9
[M+Na-2H]-	239.15297	161.1
[M]+	218.17775	157.2
[M]-	218.17885	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe