CID 19782729

1-(oxazol-2-yl)ethanone

Structural Information

Molecular Formula
C5H5NO2
SMILES
CC(=O)C1=NC=CO1
InChI
InChI=1S/C5H5NO2/c1-4(7)5-6-2-3-8-5/h2-3H,1H3
InChIKey
QCDUAXSWPGEYBB-UHFFFAOYSA-N
Compound name
1-(1,3-oxazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

146
Patents

111.03203 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 118.4
[M+Na]+ 134.02125 130.1
[M+NH4]+ 129.06585 126.5
[M+K]+ 149.99519 127.5
[M-H]- 110.02475 120.0
[M+Na-2H]- 132.00670 124.0
[M]+ 111.03148 120.3
[M]- 111.03258 120.3
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