CID 14362061

5-ethenyl-1,3-oxazole

Structural Information

Molecular Formula
C5H5NO
SMILES
C=CC1=CN=CO1
InChI
InChI=1S/C5H5NO/c1-2-5-3-6-4-7-5/h2-4H,1H2
InChIKey
CDHFJMAKBNRMFE-UHFFFAOYSA-N
Compound name
5-ethenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

95.03712 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.044396 113.3
[M+Na]+ 118.026338 122.8
[M-H]- 94.029844 116.5
[M+NH4]+ 113.070943 135.9
[M+K]+ 134.000278 123.0
[M+H-H2O]+ 78.034380 108.0
[M+HCOO]- 140.035321 138.2
[M+CH3COO]- 154.050971 163.0
[M+Na-2H]- 116.011786 122.4
[M]+ 95.03657142 114.3
[M]- 95.03766858 114.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe