CID 763870

91560-85-9

Structural Information

Molecular Formula
C12H17BrN2
SMILES
CN1CCN(CC1)CC2=CC=CC=C2Br
InChI
InChI=1S/C12H17BrN2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3
InChIKey
RVWWFPDZELZLQA-UHFFFAOYSA-N
Compound name
1-[(2-bromophenyl)methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

268.0575 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06478 154.2
[M+Na]+ 291.04672 163.6
[M-H]- 267.05022 160.0
[M+NH4]+ 286.09132 171.8
[M+K]+ 307.02066 152.1
[M+H-H2O]+ 251.05476 152.5
[M+HCOO]- 313.05570 170.2
[M+CH3COO]- 327.07135 194.3
[M+Na-2H]- 289.03217 160.0
[M]+ 268.05695 169.1
[M]- 268.05805 169.1
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