CID 67391096

2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-methylpropanoic acid

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(C)(C)C(=O)O
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-8-6-10(7-9-15)14(4,5)11(16)17/h10H,6-9H2,1-5H3,(H,16,17)
InChIKey
GEJGNVUIZCNZEK-UHFFFAOYSA-N
Compound name
2-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

271.17834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.185616 163.9
[M+Na]+ 294.167558 167.6
[M-H]- 270.171064 163.9
[M+NH4]+ 289.212163 178.3
[M+K]+ 310.141498 167.3
[M+H-H2O]+ 254.175600 158.5
[M+HCOO]- 316.176541 175.9
[M+CH3COO]- 330.192191 195.7
[M+Na-2H]- 292.153006 165.4
[M]+ 271.17779142 162.5
[M]- 271.17888858 162.5
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

patents stripe