CID 62787945

4-[(3-bromophenyl)methyl]piperidin-4-ol hydrochloride

Structural Information

Molecular Formula
C12H16BrNO
SMILES
C1CNCCC1(CC2=CC(=CC=C2)Br)O
InChI
InChI=1S/C12H16BrNO/c13-11-3-1-2-10(8-11)9-12(15)4-6-14-7-5-12/h1-3,8,14-15H,4-7,9H2
InChIKey
AUHJOXDMSQXVHQ-UHFFFAOYSA-N
Compound name
4-[(3-bromophenyl)methyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04153 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04881 154.7
[M+Na]+ 292.03075 163.0
[M-H]- 268.03425 159.3
[M+NH4]+ 287.07535 173.7
[M+K]+ 308.00469 150.8
[M+H-H2O]+ 252.03879 154.5
[M+HCOO]- 314.03973 169.3
[M+CH3COO]- 328.05538 187.4
[M+Na-2H]- 290.01620 161.1
[M]+ 269.04098 167.0
[M]- 269.04208 167.0
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

No patent data available for this compound.