CID 12296651

(5s)-3-(1,1-dimethylethyl)-2-phenyl-5-oxazolidinemethanol

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC(C)(C)N1C[C@H](OC1C2=CC=CC=C2)CO
InChI
InChI=1S/C14H21NO2/c1-14(2,3)15-9-12(10-16)17-13(15)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3/t12-,13?/m0/s1
InChIKey
JERBWURCWWHQBK-UEWDXFNNSA-N
Compound name
[(5S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

65
Patents

235.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 155.8
[M+Na]+ 258.146448 162.2
[M-H]- 234.149954 160.3
[M+NH4]+ 253.191053 172.4
[M+K]+ 274.120388 160.4
[M+H-H2O]+ 218.154490 149.4
[M+HCOO]- 280.155431 173.2
[M+CH3COO]- 294.171081 188.7
[M+Na-2H]- 256.131896 159.1
[M]+ 235.15668142 155.2
[M]- 235.15777858 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.