CID 24904629

1-[(3-bromophenyl)methyl]piperidin-4-amine

Structural Information

Molecular Formula
C12H17BrN2
SMILES
C1CN(CCC1N)CC2=CC(=CC=C2)Br
InChI
InChI=1S/C12H17BrN2/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15/h1-3,8,12H,4-7,9,14H2
InChIKey
UKTPRKGILBRQJV-UHFFFAOYSA-N
Compound name
1-[(3-bromophenyl)methyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0575 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06478 155.3
[M+Na]+ 291.04672 163.7
[M-H]- 267.05022 161.8
[M+NH4]+ 286.09132 173.5
[M+K]+ 307.02066 151.6
[M+H-H2O]+ 251.05476 153.6
[M+HCOO]- 313.05570 172.8
[M+CH3COO]- 327.07135 195.7
[M+Na-2H]- 289.03217 160.2
[M]+ 268.05695 168.0
[M]- 268.05805 168.0
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