CID 251730

Ethyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}acetate

Structural Information

Molecular Formula
C9H16N2O5
SMILES
CCOC(=O)CNC(=O)NCC(=O)OCC
InChI
InChI=1S/C9H16N2O5/c1-3-15-7(12)5-10-9(14)11-6-8(13)16-4-2/h3-6H2,1-2H3,(H2,10,11,14)
InChIKey
QJDUESMPRYWWDK-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

232.10593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11321 151.7
[M+Na]+ 255.09515 156.1
[M-H]- 231.09865 151.6
[M+NH4]+ 250.13975 168.7
[M+K]+ 271.06909 157.2
[M+H-H2O]+ 215.10319 145.2
[M+HCOO]- 277.10413 175.4
[M+CH3COO]- 291.11978 193.5
[M+Na-2H]- 253.08060 154.0
[M]+ 232.10538 155.3
[M]- 232.10648 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe