CID 58266359

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

Structural Information

Molecular Formula
C16H22BrNO3
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C16H22BrNO3/c1-15(2,3)21-14(19)18-9-5-8-16(20,11-18)12-6-4-7-13(17)10-12/h4,6-7,10,20H,5,8-9,11H2,1-3H3
InChIKey
CGBHPZHXVCGWDR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-bromophenyl)-3-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

355.0783 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.085576 175.8
[M+Na]+ 378.067518 184.1
[M-H]- 354.071024 181.8
[M+NH4]+ 373.112123 192.6
[M+K]+ 394.041458 173.5
[M+H-H2O]+ 338.075560 175.5
[M+HCOO]- 400.076501 188.7
[M+CH3COO]- 414.092151 204.5
[M+Na-2H]- 376.052966 180.0
[M]+ 355.07775142 192.4
[M]- 355.07884858 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