CID 57092

Sch 3711

Structural Information

Molecular Formula
C13H24N2O3
SMILES
CCC(CN1CCCCC1)(C(=O)N)C(=O)OCC
InChI
InChI=1S/C13H24N2O3/c1-3-13(11(14)16,12(17)18-4-2)10-15-8-6-5-7-9-15/h3-10H2,1-2H3,(H2,14,16)
InChIKey
ARURZLMHTPSVQR-UHFFFAOYSA-N
Compound name
ethyl 2-carbamoyl-2-(piperidin-1-ylmethyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.17868 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.185956 162.6
[M+Na]+ 279.167898 164.8
[M-H]- 255.171404 162.7
[M+NH4]+ 274.212503 177.1
[M+K]+ 295.141838 163.9
[M+H-H2O]+ 239.175940 155.5
[M+HCOO]- 301.176881 178.1
[M+CH3COO]- 315.192531 197.2
[M+Na-2H]- 277.153346 163.6
[M]+ 256.17813142 159.6
[M]- 256.17922858 159.6
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.