CID 137951563

Tert-butyl 4-(5-bromofuran-2-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H20BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(O2)Br
InChI
InChI=1S/C14H20BrNO3/c1-14(2,3)19-13(17)16-8-6-10(7-9-16)11-4-5-12(15)18-11/h4-5,10H,6-9H2,1-3H3
InChIKey
SKFDWDWAGNPXBI-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-bromofuran-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.06265 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.06993 172.8
[M+Na]+ 352.05187 181.7
[M-H]- 328.05537 180.8
[M+NH4]+ 347.09647 189.9
[M+K]+ 368.02581 172.9
[M+H-H2O]+ 312.05991 172.4
[M+HCOO]- 374.06085 187.6
[M+CH3COO]- 388.07650 201.6
[M+Na-2H]- 350.03732 175.4
[M]+ 329.06210 191.2
[M]- 329.06320 191.2
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

No patent data available for this compound.