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: 85
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]+	219.185576	154.3
[M+Na]+	241.167518	160.3
[M-H]-	217.171024	156.2
[M+NH4]+	236.212123	169.7
[M+K]+	257.141458	155.8
[M+H-H2O]+	201.175560	145.9
[M+HCOO]-	263.176501	170.1
[M+CH3COO]-	277.192151	189.2
[M+Na-2H]-	239.152966	156.7
[M]+	218.17775142	149.4
[M]-	218.17884858	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe