CID 179518

Ethyl 2-(2-chloroacetamido)acetate

Structural Information

Molecular Formula
C6H10ClNO3
SMILES
CCOC(=O)CNC(=O)CCl
InChI
InChI=1S/C6H10ClNO3/c1-2-11-6(10)4-8-5(9)3-7/h2-4H2,1H3,(H,8,9)
InChIKey
GSHWWBSVIZYONT-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-chloroacetyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

179.03493 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04221 135.2
[M+Na]+ 202.02415 142.6
[M-H]- 178.02765 135.6
[M+NH4]+ 197.06875 155.8
[M+K]+ 217.99809 141.2
[M+H-H2O]+ 162.03219 131.2
[M+HCOO]- 224.03313 154.8
[M+CH3COO]- 238.04878 180.3
[M+Na-2H]- 200.00960 139.6
[M]+ 179.03438 139.0
[M]- 179.03548 139.0
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