CID 22492957

1-boc-4-(3-bromophenoxy)piperidine

Structural Information

Molecular Formula
C16H22BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=CC=C2)Br
InChI
InChI=1S/C16H22BrNO3/c1-16(2,3)21-15(19)18-9-7-13(8-10-18)20-14-6-4-5-12(17)11-14/h4-6,11,13H,7-10H2,1-3H3
InChIKey
OFMHYHKXBMYVPZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-bromophenoxy)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

355.0783 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.08558 177.0
[M+Na]+ 378.06752 184.8
[M-H]- 354.07102 183.9
[M+NH4]+ 373.11212 192.4
[M+K]+ 394.04146 174.6
[M+H-H2O]+ 338.07556 175.5
[M+HCOO]- 400.07650 191.2
[M+CH3COO]- 414.09215 207.3
[M+Na-2H]- 376.05297 180.3
[M]+ 355.07775 194.8
[M]- 355.07885 194.8
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

patents stripe