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]+ 257.18596 162.6
[M+Na]+ 279.16790 164.8
[M-H]- 255.17140 162.7
[M+NH4]+ 274.21250 177.1
[M+K]+ 295.14184 163.9
[M+H-H2O]+ 239.17594 155.5
[M+HCOO]- 301.17688 178.1
[M+CH3COO]- 315.19253 197.2
[M+Na-2H]- 277.15335 163.6
[M]+ 256.17813 159.6
[M]- 256.17923 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.