CID 359337

53416-46-9

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC1(COC(=N1)C2=CC=C(C=C2)OC)C
InChI
InChI=1S/C12H15NO2/c1-12(2)8-15-11(13-12)9-4-6-10(14-3)7-5-9/h4-7H,8H2,1-3H3
InChIKey
HQVCWVGSZXODRW-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

205.11028 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 142.7
[M+Na]+ 228.09950 152.0
[M-H]- 204.10300 149.4
[M+NH4]+ 223.14410 163.2
[M+K]+ 244.07344 151.2
[M+H-H2O]+ 188.10754 136.3
[M+HCOO]- 250.10848 165.5
[M+CH3COO]- 264.12413 184.7
[M+Na-2H]- 226.08495 149.0
[M]+ 205.10973 145.6
[M]- 205.11083 145.6
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