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]+ 205.16992 149.8
[M+Na]+ 227.15186 156.3
[M-H]- 203.15536 151.9
[M+NH4]+ 222.19646 165.7
[M+K]+ 243.12580 152.0
[M+H-H2O]+ 187.15990 141.7
[M+HCOO]- 249.16084 166.0
[M+CH3COO]- 263.17649 186.2
[M+Na-2H]- 225.13731 152.7
[M]+ 204.16209 144.5
[M]- 204.16319 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.