CID 40425223

886362-62-5

Structural Information

Molecular Formula
C16H22BrNO2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13/h4-6,11-12H,7-10H2,1-3H3
InChIKey
SDAPURUFUOOCTE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-bromophenyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

339.0834 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09068 174.4
[M+Na]+ 362.07262 182.4
[M-H]- 338.07612 181.4
[M+NH4]+ 357.11722 190.6
[M+K]+ 378.04656 171.6
[M+H-H2O]+ 322.08066 173.1
[M+HCOO]- 384.08160 188.4
[M+CH3COO]- 398.09725 205.3
[M+Na-2H]- 360.05807 177.6
[M]+ 339.08285 190.8
[M]- 339.08395 190.8
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