CID 20298886

1-(isoxazol-5-yl)ethanone

Structural Information

Molecular Formula
C5H5NO2
SMILES
CC(=O)C1=CC=NO1
InChI
InChI=1S/C5H5NO2/c1-4(7)5-2-3-6-8-5/h2-3H,1H3
InChIKey
GKUBGXGRJNAABQ-UHFFFAOYSA-N
Compound name
1-(1,2-oxazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
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

No literature data available for this compound.

Patent stripe

patents stripe