CID 50853305

952486-65-6

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC(C(=O)O)OC1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO5/c1-9(11(15)16)18-10-5-7-14(8-6-10)12(17)19-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKey
YHKRUDZVAIDLNI-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

273.15762 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16490 163.0
[M+Na]+ 296.14684 166.3
[M-H]- 272.15034 162.8
[M+NH4]+ 291.19144 177.0
[M+K]+ 312.12078 166.7
[M+H-H2O]+ 256.15488 156.9
[M+HCOO]- 318.15582 176.1
[M+CH3COO]- 332.17147 195.3
[M+Na-2H]- 294.13229 162.8
[M]+ 273.15707 162.5
[M]- 273.15817 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