CID 165829160

3-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CC(C(=O)O)O
InChI
InChI=1S/C13H23NO5/c1-13(2,3)19-12(18)14-6-4-9(5-7-14)8-10(15)11(16)17/h9-10,15H,4-8H2,1-3H3,(H,16,17)
InChIKey
BLBZGRSMZHXROB-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15762 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16490 163.8
[M+Na]+ 296.14684 166.7
[M-H]- 272.15034 162.2
[M+NH4]+ 291.19144 177.1
[M+K]+ 312.12078 166.2
[M+H-H2O]+ 256.15488 157.9
[M+HCOO]- 318.15582 175.4
[M+CH3COO]- 332.17147 193.0
[M+Na-2H]- 294.13229 163.0
[M]+ 273.15707 161.4
[M]- 273.15817 161.4
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.