CID 13216309

Dtxsid101167806

Structural Information

Molecular Formula
C14H27NO4
SMILES
CCOC(=O)CCN(CCC(=O)OCC)CC(C)C
InChI
InChI=1S/C14H27NO4/c1-5-18-13(16)7-9-15(11-12(3)4)10-8-14(17)19-6-2/h12H,5-11H2,1-4H3
InChIKey
HDINWDRVOQCQDZ-UHFFFAOYSA-N
Compound name
ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.194 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.20128 169.7
[M+Na]+ 296.18322 172.9
[M-H]- 272.18672 170.2
[M+NH4]+ 291.22782 186.2
[M+K]+ 312.15716 174.1
[M+H-H2O]+ 256.19126 163.0
[M+HCOO]- 318.19220 190.8
[M+CH3COO]- 332.20785 206.9
[M+Na-2H]- 294.16867 168.3
[M]+ 273.19345 176.8
[M]- 273.19455 176.8
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.