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]+ 273.180876 165.7
[M+Na]+ 295.162818 166.8
[M-H]- 271.166324 163.6
[M+NH4]+ 290.207423 178.3
[M+K]+ 311.136758 165.7
[M+H-H2O]+ 255.170860 159.1
[M+HCOO]- 317.171801 178.0
[M+CH3COO]- 331.187451 194.7
[M+Na-2H]- 293.148266 165.7
[M]+ 272.17305142 160.5
[M]- 272.17414858 160.5
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

No patent data available for this compound.