CID 129412031

2624109-47-1

Structural Information

Molecular Formula
C15H27NO4
SMILES
CC(C)(C)[C@H]1CCCN([C@H]1C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H27NO4/c1-14(2,3)10-8-7-9-16(11(10)12(17)18)13(19)20-15(4,5)6/h10-11H,7-9H2,1-6H3,(H,17,18)/t10-,11+/m0/s1
InChIKey
QEAUYMGRKFUCBT-WDEREUQCSA-N
Compound name
(2R,3R)-3-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]+ 286.201276 167.6
[M+Na]+ 308.183218 171.9
[M-H]- 284.186724 167.9
[M+NH4]+ 303.227823 181.9
[M+K]+ 324.157158 171.4
[M+H-H2O]+ 268.191260 162.4
[M+HCOO]- 330.192201 179.3
[M+CH3COO]- 344.207851 199.4
[M+Na-2H]- 306.168666 168.1
[M]+ 285.19345142 166.9
[M]- 285.19454858 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.