CID 49657911

931410-04-7

Structural Information

Molecular Formula
C17H24BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OCC2=CC(=CC=C2)Br
InChI
InChI=1S/C17H24BrNO3/c1-17(2,3)22-16(20)19-9-7-15(8-10-19)21-12-13-5-4-6-14(18)11-13/h4-6,11,15H,7-10,12H2,1-3H3
InChIKey
GZPJTPZZFYHJNZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(3-bromophenyl)methoxy]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

369.09396 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.10124 181.6
[M+Na]+ 392.08318 188.9
[M-H]- 368.08668 188.3
[M+NH4]+ 387.12778 196.4
[M+K]+ 408.05712 178.5
[M+H-H2O]+ 352.09122 179.8
[M+HCOO]- 414.09216 195.4
[M+CH3COO]- 428.10781 210.0
[M+Na-2H]- 390.06863 184.3
[M]+ 369.09341 199.6
[M]- 369.09451 199.6
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