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]+ 274.164896 163.8
[M+Na]+ 296.146838 166.7
[M-H]- 272.150344 162.2
[M+NH4]+ 291.191443 177.1
[M+K]+ 312.120778 166.2
[M+H-H2O]+ 256.154880 157.9
[M+HCOO]- 318.155821 175.4
[M+CH3COO]- 332.171471 193.0
[M+Na-2H]- 294.132286 163.0
[M]+ 273.15707142 161.4
[M]- 273.15816858 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.