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]+ 237.12337 152.0
[M+Na]+ 259.10531 158.5
[M-H]- 235.10881 157.3
[M+NH4]+ 254.14991 168.2
[M+K]+ 275.07925 157.0
[M+H-H2O]+ 219.11335 144.3
[M+HCOO]- 281.11429 174.0
[M+CH3COO]- 295.12994 191.1
[M+Na-2H]- 257.09076 155.5
[M]+ 236.11554 152.1
[M]- 236.11664 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.