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]+ 274.201276 169.7
[M+Na]+ 296.183218 172.9
[M-H]- 272.186724 170.2
[M+NH4]+ 291.227823 186.2
[M+K]+ 312.157158 174.1
[M+H-H2O]+ 256.191260 163.0
[M+HCOO]- 318.192201 190.8
[M+CH3COO]- 332.207851 206.9
[M+Na-2H]- 294.168666 168.3
[M]+ 273.19345142 176.8
[M]- 273.19454858 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.