CID 66887414

2-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-2-methylpropanoic acid

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C(C)(C)C(=O)O
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-8-6-7-10(9-15)14(4,5)11(16)17/h10H,6-9H2,1-5H3,(H,16,17)
InChIKey
LKRVASLNAPOKQB-UHFFFAOYSA-N
Compound name
2-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

271.17834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 163.9
[M+Na]+ 294.16756 167.6
[M-H]- 270.17106 163.9
[M+NH4]+ 289.21216 178.3
[M+K]+ 310.14150 167.3
[M+H-H2O]+ 254.17560 158.5
[M+HCOO]- 316.17654 175.9
[M+CH3COO]- 330.19219 195.7
[M+Na-2H]- 292.15301 165.4
[M]+ 271.17779 162.5
[M]- 271.17889 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