CID 25271414

4-bromo-1-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H18BrNO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)Br
InChI
InChI=1S/C11H18BrNO4/c1-10(2,3)17-9(16)13-6-4-11(12,5-7-13)8(14)15/h4-7H2,1-3H3,(H,14,15)
InChIKey
VNILBVOEUDJGJN-UHFFFAOYSA-N
Compound name
4-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

307.04193 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.04921 160.1
[M+Na]+ 330.03115 168.5
[M-H]- 306.03465 163.1
[M+NH4]+ 325.07575 178.6
[M+K]+ 346.00509 159.2
[M+H-H2O]+ 290.03919 161.1
[M+HCOO]- 352.04013 172.6
[M+CH3COO]- 366.05578 195.4
[M+Na-2H]- 328.01660 164.4
[M]+ 307.04138 177.1
[M]- 307.04248 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe