CID 11817675

1-(4-bromophenyl)-4-methylpiperazine

Structural Information

Molecular Formula
C11H15BrN2
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H15BrN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKey
WCOODAWUEIXTFL-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

254.04185 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04913 149.7
[M+Na]+ 277.03107 159.5
[M-H]- 253.03457 155.7
[M+NH4]+ 272.07567 167.9
[M+K]+ 293.00501 148.3
[M+H-H2O]+ 237.03911 148.2
[M+HCOO]- 299.04005 166.1
[M+CH3COO]- 313.05570 163.1
[M+Na-2H]- 275.01652 156.0
[M]+ 254.04130 164.3
[M]- 254.04240 164.3
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