CID 83845045

2193066-72-5

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CC(C)(C)OC(=O)N1CC(CC(C1)N(C)C)C(=O)O
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-7-9(11(16)17)6-10(8-15)14(4)5/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKey
ZZCLZCOAJYRNTN-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 163.3
[M+Na]+ 295.16282 167.2
[M-H]- 271.16632 164.9
[M+NH4]+ 290.20742 178.1
[M+K]+ 311.13676 167.9
[M+H-H2O]+ 255.17086 157.0
[M+HCOO]- 317.17180 178.7
[M+CH3COO]- 331.18745 202.1
[M+Na-2H]- 293.14827 163.2
[M]+ 272.17305 162.8
[M]- 272.17415 162.8
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.