CID 2796523

3-(4,5-dihydro-4,4-dimethyl-1,3-oxazol-2-yl)-4-methylpyridine

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC1=C(C=NC=C1)C2=NC(CO2)(C)C
InChI
InChI=1S/C11H14N2O/c1-8-4-5-12-6-9(8)10-13-11(2,3)7-14-10/h4-6H,7H2,1-3H3
InChIKey
MWTCTUQKTUNCRO-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-(4-methylpyridin-3-yl)-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 139.3
[M+Na]+ 213.09983 149.2
[M-H]- 189.10333 144.7
[M+NH4]+ 208.14443 159.1
[M+K]+ 229.07377 147.9
[M+H-H2O]+ 173.10787 132.2
[M+HCOO]- 235.10881 160.9
[M+CH3COO]- 249.12446 153.4
[M+Na-2H]- 211.08528 145.9
[M]+ 190.11006 140.9
[M]- 190.11116 140.9
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