CID 53415329

1-(3-bromophenyl)-4-methylpiperazine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
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

No literature data available for this compound.

Patent stripe

patents stripe