CID 21899654

117049-94-2

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CC(C)(C)OC(=O)NC(CC1CCCNC1)C(=O)O
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)7-9-5-4-6-14-8-9/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
GETPKHLMTQAZSX-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-3-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 164.3
[M+Na]+ 295.16282 168.8
[M+NH4]+ 290.20742 168.1
[M+K]+ 311.13676 167.5
[M-H]- 271.16632 161.4
[M+Na-2H]- 293.14827 164.2
[M]+ 272.17305 163.4
[M]- 272.17415 163.4
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.