CID 3074828

163165-91-1

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1(COC(=N1)C2=CC=CC=C2O)C
InChI
InChI=1S/C11H13NO2/c1-11(2)7-14-10(12-11)8-5-3-4-6-9(8)13/h3-6,13H,7H2,1-2H3
InChIKey
UWRIOIUJRZKJSZ-UHFFFAOYSA-N
Compound name
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

191.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 138.9
[M+Na]+ 214.083858 148.3
[M-H]- 190.087364 144.4
[M+NH4]+ 209.128463 159.3
[M+K]+ 230.057798 146.7
[M+H-H2O]+ 174.091900 133.0
[M+HCOO]- 236.092841 160.5
[M+CH3COO]- 250.108491 179.1
[M+Na-2H]- 212.069306 145.3
[M]+ 191.09409142 139.6
[M]- 191.09518858 139.6
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