CID 730424

99395-88-7

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1[C@@H](NC(=O)O1)C2=CC=CC=C2
InChI
InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m1/s1
InChIKey
QDMNNMIOWVJVLY-MRVPVSSYSA-N
Compound name
(4S)-4-phenyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1967
Patents

163.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 133.1
[M+Na]+ 186.05254 145.4
[M+NH4]+ 181.09714 141.5
[M+K]+ 202.02648 141.5
[M-H]- 162.05604 136.8
[M+Na-2H]- 184.03799 139.6
[M]+ 163.06277 135.8
[M]- 163.06387 135.8
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