CID 49760301

Tert-butyl 4-(3-bromophenyl)-4-hydroxypiperidine-1-carboxylate

Structural Information

Molecular Formula
C16H22BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C16H22BrNO3/c1-15(2,3)21-14(19)18-9-7-16(20,8-10-18)12-5-4-6-13(17)11-12/h4-6,11,20H,7-10H2,1-3H3
InChIKey
ZKSMNSUDQPFSLB-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-bromophenyl)-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

355.0783 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.08558 175.8
[M+Na]+ 378.06752 184.1
[M-H]- 354.07102 181.8
[M+NH4]+ 373.11212 192.6
[M+K]+ 394.04146 173.5
[M+H-H2O]+ 338.07556 175.5
[M+HCOO]- 400.07650 188.7
[M+CH3COO]- 414.09215 204.5
[M+Na-2H]- 376.05297 180.0
[M]+ 355.07775 192.4
[M]- 355.07885 192.4
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