CID 671208

Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4s,5s)-

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC1=N[C@H]([C@@H](O1)C2=CC=CC=C2)COC
InChI
InChI=1S/C12H15NO2/c1-9-13-11(8-14-2)12(15-9)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3/t11-,12-/m0/s1
InChIKey
AKFIXTAIQHJWAU-RYUDHWBXSA-N
Compound name
(4S,5S)-4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

205.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 144.1
[M+Na]+ 228.09950 152.4
[M-H]- 204.10300 150.4
[M+NH4]+ 223.14410 162.5
[M+K]+ 244.07344 151.3
[M+H-H2O]+ 188.10754 137.0
[M+HCOO]- 250.10848 166.8
[M+CH3COO]- 264.12413 185.1
[M+Na-2H]- 226.08495 149.1
[M]+ 205.10973 146.6
[M]- 205.11083 146.6
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