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]+ 276.18056 167.6
[M+Na]+ 298.16250 170.8
[M-H]- 274.16600 166.7
[M+NH4]+ 293.20710 183.2
[M+K]+ 314.13644 171.5
[M+H-H2O]+ 258.17054 160.8
[M+HCOO]- 320.17148 188.7
[M+CH3COO]- 334.18713 202.5
[M+Na-2H]- 296.14795 167.6
[M]+ 275.17273 174.4
[M]- 275.17383 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.