CID 84809859

1-[(tert-butoxy)carbonyl]-4-(dimethylamino)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)N(C)C
InChI
InChI=1S/C13H24N2O4/c1-12(2,3)19-11(18)15-8-6-13(7-9-15,10(16)17)14(4)5/h6-9H2,1-5H3,(H,16,17)
InChIKey
LCUWMCKCMABXON-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.1736 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 162.4
[M+Na]+ 295.16282 166.4
[M-H]- 271.16632 163.9
[M+NH4]+ 290.20742 179.0
[M+K]+ 311.13676 167.5
[M+H-H2O]+ 255.17086 157.1
[M+HCOO]- 317.17180 177.9
[M+CH3COO]- 331.18745 200.3
[M+Na-2H]- 293.14827 164.5
[M]+ 272.17305 162.0
[M]- 272.17415 162.0
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