CID 478966

Chembl331210

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CC(=O)O[C@@H]1CC(=O)N1C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O4/c1-9(16)19-12-7-11(17)15(12)13(18)14-8-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3,(H,14,18)/t12-/m1/s1
InChIKey
YDLDYGGQWOLFQJ-GFCCVEGCSA-N
Compound name
[(2R)-1-(benzylcarbamoyl)-4-oxoazetidin-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.09537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 158.3
[M+Na]+ 285.08459 162.8
[M-H]- 261.08809 163.2
[M+NH4]+ 280.12919 166.4
[M+K]+ 301.05853 164.7
[M+H-H2O]+ 245.09263 144.4
[M+HCOO]- 307.09357 178.5
[M+CH3COO]- 321.10922 199.8
[M+Na-2H]- 283.07004 160.2
[M]+ 262.09482 167.6
[M]- 262.09592 167.6
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.