CID 478964

Chembl122071

Structural Information

Molecular Formula
C9H14N2O4
SMILES
CC(C)NC(=O)N1[C@@H](CC1=O)OC(=O)C
InChI
InChI=1S/C9H14N2O4/c1-5(2)10-9(14)11-7(13)4-8(11)15-6(3)12/h5,8H,4H2,1-3H3,(H,10,14)/t8-/m1/s1
InChIKey
UNFSCEKMSQCGLK-MRVPVSSYSA-N
Compound name
[(2R)-4-oxo-1-(propan-2-ylcarbamoyl)azetidin-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.09535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10263 149.5
[M+Na]+ 237.08457 154.0
[M-H]- 213.08807 151.6
[M+NH4]+ 232.12917 159.9
[M+K]+ 253.05851 157.9
[M+H-H2O]+ 197.09261 137.4
[M+HCOO]- 259.09355 168.5
[M+CH3COO]- 273.10920 193.3
[M+Na-2H]- 235.07002 149.4
[M]+ 214.09480 159.2
[M]- 214.09590 159.2
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.