CID 43146488

(4-bromophenyl)(piperidin-3-yl)methanol hydrochloride

Structural Information

Molecular Formula
C12H16BrNO
SMILES
C1CC(CNC1)C(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C12H16BrNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h3-6,10,12,14-15H,1-2,7-8H2
InChIKey
ONRXDJXFLYCSMU-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-piperidin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 163.1
[M-H]- 268.03425 160.3
[M+NH4]+ 287.07535 173.0
[M+K]+ 308.00469 151.0
[M+H-H2O]+ 252.03879 155.2
[M+HCOO]- 314.03973 169.6
[M+CH3COO]- 328.05538 188.6
[M+Na-2H]- 290.01620 160.2
[M]+ 269.04098 167.3
[M]- 269.04208 167.3
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