CID 44557246

Ethyl 2-chloro-2-acetamidoacetate

Structural Information

Molecular Formula
C6H10ClNO3
SMILES
CCOC(=O)C(NC(=O)C)Cl
InChI
InChI=1S/C6H10ClNO3/c1-3-11-6(10)5(7)8-4(2)9/h5H,3H2,1-2H3,(H,8,9)
InChIKey
CHYHOSYHUSIVCU-UHFFFAOYSA-N
Compound name
ethyl 2-acetamido-2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.03493 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04221 135.2
[M+Na]+ 202.02415 142.3
[M-H]- 178.02765 135.7
[M+NH4]+ 197.06875 155.8
[M+K]+ 217.99809 141.4
[M+H-H2O]+ 162.03219 131.4
[M+HCOO]- 224.03313 153.8
[M+CH3COO]- 238.04878 181.2
[M+Na-2H]- 200.00960 138.4
[M]+ 179.03438 138.4
[M]- 179.03548 138.4
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.