CID 66509383

3-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C14H20N2O5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NOC(=C2)C(=O)O
InChI
InChI=1S/C14H20N2O5/c1-14(2,3)20-13(19)16-6-4-9(5-7-16)10-8-11(12(17)18)21-15-10/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKey
WQPJMDOHKXDVBH-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14448 166.8
[M+Na]+ 319.12642 174.7
[M+NH4]+ 314.17102 170.9
[M+K]+ 335.10036 175.1
[M-H]- 295.12992 166.5
[M+Na-2H]- 317.11187 168.4
[M]+ 296.13665 167.3
[M]- 296.13775 167.3
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.