CID 67725154

1-(1,3-oxazol-5-yl)propan-1-one

Structural Information

Molecular Formula
C6H7NO2
SMILES
CCC(=O)C1=CN=CO1
InChI
InChI=1S/C6H7NO2/c1-2-5(8)6-3-7-4-9-6/h3-4H,2H2,1H3
InChIKey
IBDQWEAVPHTJES-UHFFFAOYSA-N
Compound name
1-(1,3-oxazol-5-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

125.047676 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 121.8
[M+Na]+ 148.036894 130.5
[M-H]- 124.040400 125.0
[M+NH4]+ 143.081499 143.1
[M+K]+ 164.010834 131.3
[M+H-H2O]+ 108.044936 116.1
[M+HCOO]- 170.045877 145.5
[M+CH3COO]- 184.061527 168.9
[M+Na-2H]- 146.022342 129.0
[M]+ 125.04712742 124.0
[M]- 125.04822458 124.0
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