CID 137945405

2287268-19-1

Structural Information

Molecular Formula
C15H27NO4
SMILES
CC(C)(C)C1CCC(N(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H27NO4/c1-14(2,3)10-7-8-11(12(17)18)16(9-10)13(19)20-15(4,5)6/h10-11H,7-9H2,1-6H3,(H,17,18)
InChIKey
GEYRWVKVZSOVRO-UHFFFAOYSA-N
Compound name
5-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.194 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.20128 167.6
[M+Na]+ 308.18322 171.9
[M-H]- 284.18672 167.9
[M+NH4]+ 303.22782 181.9
[M+K]+ 324.15716 171.4
[M+H-H2O]+ 268.19126 162.4
[M+HCOO]- 330.19220 179.3
[M+CH3COO]- 344.20785 199.4
[M+Na-2H]- 306.16867 168.1
[M]+ 285.19345 166.9
[M]- 285.19455 166.9
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

No patent data available for this compound.