CID 16203518

Glycine, n-(chlorocarbonyl)-n-(2-ethoxy-2-oxoethyl)-, ethyl ester

Structural Information

Molecular Formula
C9H14ClNO5
SMILES
CCOC(=O)CN(CC(=O)OCC)C(=O)Cl
InChI
InChI=1S/C9H14ClNO5/c1-3-15-7(12)5-11(9(10)14)6-8(13)16-4-2/h3-6H2,1-2H3
InChIKey
OMPGJMIOMRGUTF-UHFFFAOYSA-N
Compound name
ethyl 2-[carbonochloridoyl-(2-ethoxy-2-oxoethyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

251.05605 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06333 151.4
[M+Na]+ 274.04527 157.9
[M-H]- 250.04877 153.1
[M+NH4]+ 269.08987 169.7
[M+K]+ 290.01921 158.1
[M+H-H2O]+ 234.05331 146.8
[M+HCOO]- 296.05425 170.4
[M+CH3COO]- 310.06990 196.2
[M+Na-2H]- 272.03072 152.8
[M]+ 251.05550 159.4
[M]- 251.05660 159.4
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

patents stripe