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]+ 273.180876 163.3
[M+Na]+ 295.162818 167.2
[M-H]- 271.166324 164.9
[M+NH4]+ 290.207423 178.1
[M+K]+ 311.136758 167.9
[M+H-H2O]+ 255.170860 157.0
[M+HCOO]- 317.171801 178.7
[M+CH3COO]- 331.187451 202.1
[M+Na-2H]- 293.148266 163.2
[M]+ 272.17305142 162.8
[M]- 272.17414858 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.