CID 3022353

93783-16-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.03493 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.042206 135.2
[M+Na]+ 202.024148 142.6
[M-H]- 178.027654 135.6
[M+NH4]+ 197.068753 155.8
[M+K]+ 217.998088 141.2
[M+H-H2O]+ 162.032190 131.2
[M+HCOO]- 224.033131 154.8
[M+CH3COO]- 238.048781 180.3
[M+Na-2H]- 200.009596 139.6
[M]+ 179.03438142 139.0
[M]- 179.03547858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.