CID 10935078

Azetidon

Structural Information

Molecular Formula
C13H25NO4Si
SMILES
C[C@H]([C@@H]1[C@H](NC1=O)OC(=O)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C13H25NO4Si/c1-8(18-19(6,7)13(3,4)5)10-11(16)14-12(10)17-9(2)15/h8,10,12H,1-7H3,(H,14,16)/t8-,10+,12-/m1/s1
InChIKey
GWHDKFODLYVMQG-UBHAPETDSA-N
Compound name
[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

434
Patents

287.15527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.16255 169.3
[M+Na]+ 310.14449 173.0
[M-H]- 286.14799 169.6
[M+NH4]+ 305.18909 177.5
[M+K]+ 326.11843 175.7
[M+H-H2O]+ 270.15253 158.6
[M+HCOO]- 332.15347 181.9
[M+CH3COO]- 346.16912 202.1
[M+Na-2H]- 308.12994 169.1
[M]+ 287.15472 180.2
[M]- 287.15582 180.2
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

patents stripe