CID 10012688

3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole

Structural Information

Molecular Formula
C12H13NO
SMILES
CC1=CC=C(C=C1)C2=C(ON=C2C)C
InChI
InChI=1S/C12H13NO/c1-8-4-6-11(7-5-8)12-9(2)13-14-10(12)3/h4-7H,1-3H3
InChIKey
CBPUZXDGLGAVDM-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

187.09972 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 138.8
[M+Na]+ 210.088938 149.3
[M-H]- 186.092444 145.9
[M+NH4]+ 205.133543 158.5
[M+K]+ 226.062878 147.5
[M+H-H2O]+ 170.096980 132.3
[M+HCOO]- 232.097921 162.8
[M+CH3COO]- 246.113571 183.9
[M+Na-2H]- 208.074386 144.2
[M]+ 187.09917142 141.8
[M]- 187.10026858 141.8
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