CID 24729684

3-n-boc-amino-3-(4')-piperidine-propionic acid

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)C1CCNCC1
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-10(8-11(16)17)9-4-6-14-7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
RZBQGLZGJNCPPV-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

272.1736 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 165.7
[M+Na]+ 295.16282 166.8
[M-H]- 271.16632 163.6
[M+NH4]+ 290.20742 178.3
[M+K]+ 311.13676 165.7
[M+H-H2O]+ 255.17086 159.1
[M+HCOO]- 317.17180 178.0
[M+CH3COO]- 331.18745 194.7
[M+Na-2H]- 293.14827 165.7
[M]+ 272.17305 160.5
[M]- 272.17415 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

patents stripe