CID 56489

Sch 3701

Structural Information

Molecular Formula
C15H27NO4
SMILES
CCOC(=O)C(C(C)CN1CCCCC1)C(=O)OCC
InChI
InChI=1S/C15H27NO4/c1-4-19-14(17)13(15(18)20-5-2)12(3)11-16-9-7-6-8-10-16/h12-13H,4-11H2,1-3H3
InChIKey
MJJWFTPLZIOGRM-UHFFFAOYSA-N
Compound name
diethyl 2-(1-piperidin-1-ylpropan-2-yl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.194 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.20128 170.8
[M+Na]+ 308.18322 172.2
[M-H]- 284.18672 171.0
[M+NH4]+ 303.22782 184.5
[M+K]+ 324.15716 172.3
[M+H-H2O]+ 268.19126 163.2
[M+HCOO]- 330.19220 185.1
[M+CH3COO]- 344.20785 201.6
[M+Na-2H]- 306.16867 168.2
[M]+ 285.19345 170.9
[M]- 285.19455 170.9
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.