CID 13307489

1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC(C1CC(=NO1)C2=CC=CC=C2)O
InChI
InChI=1S/C11H13NO2/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-6,8,11,13H,7H2,1H3
InChIKey
QKHZHBZGPDGOAG-UHFFFAOYSA-N
Compound name
1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 140.7
[M+Na]+ 214.083858 147.8
[M-H]- 190.087364 145.4
[M+NH4]+ 209.128463 158.5
[M+K]+ 230.057798 146.5
[M+H-H2O]+ 174.091900 133.9
[M+HCOO]- 236.092841 161.2
[M+CH3COO]- 250.108491 179.3
[M+Na-2H]- 212.069306 145.2
[M]+ 191.09409142 139.9
[M]- 191.09518858 139.9
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