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]+ 201.08699 143.4
[M+Na]+ 223.06893 148.7
[M-H]- 199.07243 145.6
[M+NH4]+ 218.11353 154.5
[M+K]+ 239.04287 152.2
[M+H-H2O]+ 183.07697 131.4
[M+HCOO]- 245.07791 163.7
[M+CH3COO]- 259.09356 189.5
[M+Na-2H]- 221.05438 145.2
[M]+ 200.07916 153.4
[M]- 200.08026 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.