CID 16495045

1-(4-bromobenzyl)piperidine

Structural Information

Molecular Formula
C12H16BrN
SMILES
C1CCN(CC1)CC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H16BrN/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2
InChIKey
ILQFFXGIIWWTNH-UHFFFAOYSA-N
Compound name
1-[(4-bromophenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

253.04662 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.053896 151.2
[M+Na]+ 276.035838 159.6
[M-H]- 252.039344 158.0
[M+NH4]+ 271.080443 170.3
[M+K]+ 292.009778 148.4
[M+H-H2O]+ 236.043880 150.2
[M+HCOO]- 298.044821 168.4
[M+CH3COO]- 312.060471 190.8
[M+Na-2H]- 274.021286 157.5
[M]+ 253.04607142 165.2
[M]- 253.04716858 165.2
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