CID 53407237

1263378-07-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

134
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 117.0
[M+Na]+ 134.02125 126.1
[M-H]- 110.02475 120.3
[M+NH4]+ 129.06585 138.9
[M+K]+ 149.99519 127.2
[M+H-H2O]+ 94.029290 111.5
[M+HCOO]- 156.03023 141.1
[M+CH3COO]- 170.04588 165.9
[M+Na-2H]- 132.00670 124.7
[M]+ 111.03148 118.8
[M]- 111.03258 118.8
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