CID 18525707

5-(4-ethynylphenyl)-1,3-oxazole

Structural Information

Molecular Formula
C11H7NO
SMILES
C#CC1=CC=C(C=C1)C2=CN=CO2
InChI
InChI=1S/C11H7NO/c1-2-9-3-5-10(6-4-9)11-7-12-8-13-11/h1,3-8H
InChIKey
CYRYZDZQFDRTHD-UHFFFAOYSA-N
Compound name
5-(4-ethynylphenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

169.05276 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06004 134.0
[M+Na]+ 192.04198 145.7
[M-H]- 168.04548 137.5
[M+NH4]+ 187.08658 151.0
[M+K]+ 208.01592 141.2
[M+H-H2O]+ 152.05002 120.6
[M+HCOO]- 214.05096 152.1
[M+CH3COO]- 228.06661 146.5
[M+Na-2H]- 190.02743 139.9
[M]+ 169.05221 129.3
[M]- 169.05331 129.3
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