CID 116489491

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

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C2CCC2)C(=O)O
InChI
InChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-9-7-15(8-10-16,12(17)18)11-5-4-6-11/h11H,4-10H2,1-3H3,(H,17,18)
InChIKey
QHOAPZKLALAPPO-UHFFFAOYSA-N
Compound name
4-cyclobutyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.185616 169.1
[M+Na]+ 306.167558 170.6
[M-H]- 282.171064 171.5
[M+NH4]+ 301.212163 177.9
[M+K]+ 322.141498 173.0
[M+H-H2O]+ 266.175600 158.1
[M+HCOO]- 328.176541 180.4
[M+CH3COO]- 342.192191 199.0
[M+Na-2H]- 304.153006 169.3
[M]+ 283.17779142 174.3
[M]- 283.17888858 174.3
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.