CID 2733820

(s)-(+)-5,5-dimethyl-4-phenyl-2-oxazolidinone

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1([C@@H](NC(=O)O1)C2=CC=CC=C2)C
InChI
InChI=1S/C11H13NO2/c1-11(2)9(12-10(13)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)/t9-/m0/s1
InChIKey
HSQRCAULDOQKPF-VIFPVBQESA-N
Compound name
(4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

191.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 139.6
[M+Na]+ 214.08386 148.2
[M-H]- 190.08736 144.8
[M+NH4]+ 209.12846 159.8
[M+K]+ 230.05780 146.3
[M+H-H2O]+ 174.09190 133.8
[M+HCOO]- 236.09284 159.9
[M+CH3COO]- 250.10849 178.6
[M+Na-2H]- 212.06931 145.0
[M]+ 191.09409 138.2
[M]- 191.09519 138.2
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