CID 82701563

Tert-butyl 4-(2-bromoethoxy)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H22BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OCCBr
InChI
InChI=1S/C12H22BrNO3/c1-12(2,3)17-11(15)14-7-4-10(5-8-14)16-9-6-13/h10H,4-9H2,1-3H3
InChIKey
QTESIKRAHHMHFT-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-bromoethoxy)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

307.0783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08558 163.9
[M+Na]+ 330.06752 163.6
[M+NH4]+ 325.11212 166.7
[M+K]+ 346.04146 165.1
[M-H]- 306.07102 161.9
[M+Na-2H]- 328.05297 163.6
[M]+ 307.07775 161.9
[M]- 307.07885 161.9
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