CID 574780

Bd 1063 dihydrochloride

Structural Information

Molecular Formula
C13H18Cl2N2
SMILES
CN1CCN(CC1)CCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H18Cl2N2/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11/h2-3,10H,4-9H2,1H3
InChIKey
SUIZRDJCBVPASY-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

65
References

140
Patents

272.08472 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09200 160.9
[M+Na]+ 295.07394 168.6
[M-H]- 271.07744 163.1
[M+NH4]+ 290.11854 175.9
[M+K]+ 311.04788 162.3
[M+H-H2O]+ 255.08198 152.9
[M+HCOO]- 317.08292 168.7
[M+CH3COO]- 331.09857 197.0
[M+Na-2H]- 293.05939 162.9
[M]+ 272.08417 160.4
[M]- 272.08527 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe