CID 20055419

Berefrine

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC(C)(C)C1N(C[C@H](O1)C2=CC(=CC=C2)O)C
InChI
InChI=1S/C14H21NO2/c1-14(2,3)13-15(4)9-12(17-13)10-6-5-7-11(16)8-10/h5-8,12-13,16H,9H2,1-4H3/t12-,13?/m0/s1
InChIKey
ORIOFGXXYYXLNY-UEWDXFNNSA-N
Compound name
3-[(5R)-2-tert-butyl-3-methyl-1,3-oxazolidin-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

280
Patents

235.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 155.1
[M+Na]+ 258.14645 166.7
[M+NH4]+ 253.19105 162.8
[M+K]+ 274.12039 163.5
[M-H]- 234.14995 158.5
[M+Na-2H]- 256.13190 160.0
[M]+ 235.15668 157.7
[M]- 235.15778 157.7
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