CID 876494

1-[(4-bromophenyl)methyl]piperazine

Structural Information

Molecular Formula
C11H15BrN2
SMILES
C1CN(CCN1)CC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H15BrN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKey
MAHWBNAOEVAPJF-UHFFFAOYSA-N
Compound name
1-[(4-bromophenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

90
Patents

254.04185 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04913 150.6
[M+Na]+ 277.03107 159.0
[M-H]- 253.03457 154.9
[M+NH4]+ 272.07567 167.7
[M+K]+ 293.00501 146.9
[M+H-H2O]+ 237.03911 149.2
[M+HCOO]- 299.04005 165.5
[M+CH3COO]- 313.05570 162.9
[M+Na-2H]- 275.01652 157.1
[M]+ 254.04130 163.0
[M]- 254.04240 163.0
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