CID 20099360

1-(3,4-dimethylphenyl)-3-methylpiperazine

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1CN(CCN1)C2=CC(=C(C=C2)C)C
InChI
InChI=1S/C13H20N2/c1-10-4-5-13(8-11(10)2)15-7-6-14-12(3)9-15/h4-5,8,12,14H,6-7,9H2,1-3H3
InChIKey
BWMPEXYPBJMTBL-UHFFFAOYSA-N
Compound name
1-(3,4-dimethylphenyl)-3-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.16264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 149.8
[M+Na]+ 227.151858 156.3
[M-H]- 203.155364 151.9
[M+NH4]+ 222.196463 165.7
[M+K]+ 243.125798 152.0
[M+H-H2O]+ 187.159900 141.7
[M+HCOO]- 249.160841 166.0
[M+CH3COO]- 263.176491 186.2
[M+Na-2H]- 225.137306 152.7
[M]+ 204.16209142 144.5
[M]- 204.16318858 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.