CID 64924078

1-(3,4-dichlorophenyl)-3,3-dimethylpiperazine hydrochloride

Structural Information

Molecular Formula
C12H16Cl2N2
SMILES
CC1(CN(CCN1)C2=CC(=C(C=C2)Cl)Cl)C
InChI
InChI=1S/C12H16Cl2N2/c1-12(2)8-16(6-5-15-12)9-3-4-10(13)11(14)7-9/h3-4,7,15H,5-6,8H2,1-2H3
InChIKey
YZLRWCFOPOOJJQ-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3,3-dimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.06906 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07634 154.7
[M+Na]+ 281.05828 163.4
[M-H]- 257.06178 156.3
[M+NH4]+ 276.10288 171.7
[M+K]+ 297.03222 156.8
[M+H-H2O]+ 241.06632 148.1
[M+HCOO]- 303.06726 161.6
[M+CH3COO]- 317.08291 165.3
[M+Na-2H]- 279.04373 158.0
[M]+ 258.06851 152.3
[M]- 258.06961 152.3
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.