CID 2387220

Methyl 2-(2-chloroacetamido)acetate

Structural Information

Molecular Formula
C5H8ClNO3
SMILES
COC(=O)CNC(=O)CCl
InChI
InChI=1S/C5H8ClNO3/c1-10-5(9)3-7-4(8)2-6/h2-3H2,1H3,(H,7,8)
InChIKey
FCYYBUGNYDVXCX-UHFFFAOYSA-N
Compound name
methyl 2-[(2-chloroacetyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

165.01927 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02655 130.5
[M+Na]+ 188.00849 138.3
[M-H]- 164.01199 131.1
[M+NH4]+ 183.05309 151.7
[M+K]+ 203.98243 137.2
[M+H-H2O]+ 148.01653 126.7
[M+HCOO]- 210.01747 150.4
[M+CH3COO]- 224.03312 177.3
[M+Na-2H]- 185.99394 135.5
[M]+ 165.01872 133.9
[M]- 165.01982 133.9
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