CID 504010

4-amino-2-(2-benzyloxyethyl)isoxazolidin-3-one

Structural Information

Molecular Formula
C12H16N2O3
SMILES
C1C(C(=O)N(O1)CCOCC2=CC=CC=C2)N
InChI
InChI=1S/C12H16N2O3/c13-11-9-17-14(12(11)15)6-7-16-8-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2
InChIKey
GUKJRJSJTWMWPB-UHFFFAOYSA-N
Compound name
4-amino-2-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.11609 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 152.0
[M+Na]+ 259.105308 158.5
[M-H]- 235.108814 157.3
[M+NH4]+ 254.149913 168.2
[M+K]+ 275.079248 157.0
[M+H-H2O]+ 219.113350 144.3
[M+HCOO]- 281.114291 174.0
[M+CH3COO]- 295.129941 191.1
[M+Na-2H]- 257.090756 155.5
[M]+ 236.11554142 152.1
[M]- 236.11663858 152.1
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.