CID 58022752

773099-94-8

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OCCC(=O)O
InChI
InChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-4-10(5-8-14)18-9-6-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKey
YMGADXXOTWPYBL-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

273.15762 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16490 163.9
[M+Na]+ 296.14684 167.4
[M-H]- 272.15034 163.6
[M+NH4]+ 291.19144 177.9
[M+K]+ 312.12078 167.2
[M+H-H2O]+ 256.15488 157.5
[M+HCOO]- 318.15582 177.9
[M+CH3COO]- 332.17147 194.4
[M+Na-2H]- 294.13229 164.7
[M]+ 273.15707 163.9
[M]- 273.15817 163.9
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