CID 853161

16251-45-9

Structural Information

Molecular Formula
C10H11NO2
SMILES
C[C@H]1[C@H](OC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m0/s1
InChIKey
PPIBJOQGAJBQDF-CBAPKCEASA-N
Compound name
(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

466
Patents

177.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 136.1
[M+Na]+ 200.068198 144.1
[M-H]- 176.071704 141.0
[M+NH4]+ 195.112803 154.7
[M+K]+ 216.042138 142.2
[M+H-H2O]+ 160.076240 129.7
[M+HCOO]- 222.077181 156.7
[M+CH3COO]- 236.092831 176.0
[M+Na-2H]- 198.053646 140.7
[M]+ 177.07843142 133.9
[M]- 177.07952858 133.9
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