CID 3073025

145441-07-2

Structural Information

Molecular Formula
C13H15NO2
SMILES
CC1=C(C(=CC=C1)C)OCC2=NOC(=C2)C
InChI
InChI=1S/C13H15NO2/c1-9-5-4-6-10(2)13(9)15-8-12-7-11(3)16-14-12/h4-7H,8H2,1-3H3
InChIKey
NNOOILDKFIECSP-UHFFFAOYSA-N
Compound name
3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 146.9
[M+Na]+ 240.09950 156.9
[M-H]- 216.10300 153.8
[M+NH4]+ 235.14410 165.3
[M+K]+ 256.07344 155.3
[M+H-H2O]+ 200.10754 140.0
[M+HCOO]- 262.10848 170.7
[M+CH3COO]- 276.12413 189.0
[M+Na-2H]- 238.08495 151.7
[M]+ 217.10973 151.7
[M]- 217.11083 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.