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

144
Patents

254.04185 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.049126 149.7
[M+Na]+ 277.031068 159.5
[M-H]- 253.034574 155.7
[M+NH4]+ 272.075673 167.9
[M+K]+ 293.005008 148.3
[M+H-H2O]+ 237.039110 148.2
[M+HCOO]- 299.040051 166.1
[M+CH3COO]- 313.055701 163.1
[M+Na-2H]- 275.016516 156.0
[M]+ 254.04130142 164.3
[M]- 254.04239858 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