CID 2758541

104481-67-6

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

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

InChI

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

InChIKey

CFQKZODRQRHNLP-UHFFFAOYSA-N

Compound name

1-[(2,5-dimethylphenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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