CID 104650

53935-66-3

Structural Information

Molecular Formula
C13H25NO5
SMILES
CCOC(=O)CCN(CCCO)CCC(=O)OCC
InChI
InChI=1S/C13H25NO5/c1-3-18-12(16)6-9-14(8-5-11-15)10-7-13(17)19-4-2/h15H,3-11H2,1-2H3
InChIKey
BHZAMQABWGMKDQ-UHFFFAOYSA-N
Compound name
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-hydroxypropyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.17328 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.180556 167.6
[M+Na]+ 298.162498 170.8
[M-H]- 274.166004 166.7
[M+NH4]+ 293.207103 183.2
[M+K]+ 314.136438 171.5
[M+H-H2O]+ 258.170540 160.8
[M+HCOO]- 320.171481 188.7
[M+CH3COO]- 334.187131 202.5
[M+Na-2H]- 296.147946 167.6
[M]+ 275.17273142 174.4
[M]- 275.17382858 174.4
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.