CID 2737384

1-(3,4-dimethylbenzyl)piperazine

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

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

InChI

InChI=1S/C13H20N2/c1-11-3-4-13(9-12(11)2)10-15-7-5-14-6-8-15/h3-4,9,14H,5-8,10H2,1-2H3

InChIKey

PXHRDWNRXRGHDR-UHFFFAOYSA-N

Compound name

1-[(3,4-dimethylphenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 204.16264 Da
Monoisotopic Mass: 1.8
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]+	205.16992	150.0
[M+Na]+	227.15186	163.2
[M+NH4]+	222.19646	158.7
[M+K]+	243.12580	155.4
[M-H]-	203.15536	153.5
[M+Na-2H]-	225.13731	157.3
[M]+	204.16209	152.8
[M]-	204.16319	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe