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 166.0
[M+Na]+ 330.06752 173.8
[M-H]- 306.07102 169.8
[M+NH4]+ 325.11212 183.5
[M+K]+ 346.04146 164.3
[M+H-H2O]+ 290.07556 165.4
[M+HCOO]- 352.07650 180.1
[M+CH3COO]- 366.09215 199.0
[M+Na-2H]- 328.05297 169.6
[M]+ 307.07775 184.5
[M]- 307.07885 184.5
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