CID 11041893

(4s,5s)-(-)-2-ethyl-5-phenyl-2-oxazoline-4-methanol

Structural Information

Molecular Formula
C12H15NO2
SMILES
CCC1=N[C@H]([C@@H](O1)C2=CC=CC=C2)CO
InChI
InChI=1S/C12H15NO2/c1-2-11-13-10(8-14)12(15-11)9-6-4-3-5-7-9/h3-7,10,12,14H,2,8H2,1H3/t10-,12-/m0/s1
InChIKey
GZOYBTRDWOUZTG-JQWIXIFHSA-N
Compound name
[(4S,5S)-2-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

205.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 144.7
[M+Na]+ 228.09950 152.6
[M-H]- 204.10300 149.6
[M+NH4]+ 223.14410 162.4
[M+K]+ 244.07344 150.6
[M+H-H2O]+ 188.10754 137.9
[M+HCOO]- 250.10848 165.9
[M+CH3COO]- 264.12413 182.6
[M+Na-2H]- 226.08495 149.3
[M]+ 205.10973 145.4
[M]- 205.11083 145.4
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