CID 12371753

2-(p-tolyl)oxazole

Structural Information

Molecular Formula
C10H9NO
SMILES
CC1=CC=C(C=C1)C2=NC=CO2
InChI
InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-7H,1H3
InChIKey
WHELBNUVILHIHT-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

159.06842 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 131.0
[M+Na]+ 182.05764 145.9
[M+NH4]+ 177.10224 140.6
[M+K]+ 198.03158 140.7
[M-H]- 158.06114 136.4
[M+Na-2H]- 180.04309 140.4
[M]+ 159.06787 134.8
[M]- 159.06897 134.8
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