CID 62787945

2377035-88-4

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 156.1
[M+Na]+ 292.03075 158.8
[M+NH4]+ 287.07535 162.2
[M+K]+ 308.00469 156.3
[M-H]- 268.03425 157.6
[M+Na-2H]- 290.01620 160.9
[M]+ 269.04098 155.8
[M]- 269.04208 155.8
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.