CID 478963

Chembl122963

Structural Information

Molecular Formula
C8H12N2O4
SMILES
CCNC(=O)N1[C@@H](CC1=O)OC(=O)C
InChI
InChI=1S/C8H12N2O4/c1-3-9-8(13)10-6(12)4-7(10)14-5(2)11/h7H,3-4H2,1-2H3,(H,9,13)/t7-/m1/s1
InChIKey
IEASISUHBALLMZ-SSDOTTSWSA-N
Compound name
[(2R)-1-(ethylcarbamoyl)-4-oxoazetidin-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

200.07971 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.086986 143.4
[M+Na]+ 223.068928 148.7
[M-H]- 199.072434 145.6
[M+NH4]+ 218.113533 154.5
[M+K]+ 239.042868 152.2
[M+H-H2O]+ 183.076970 131.4
[M+HCOO]- 245.077911 163.7
[M+CH3COO]- 259.093561 189.5
[M+Na-2H]- 221.054376 145.2
[M]+ 200.07916142 153.4
[M]- 200.08025858 153.4
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

No patent data available for this compound.