CID 11829395

5-ethyl-1,2-oxazol-3-ol

Structural Information

Molecular Formula
C5H7NO2
SMILES
CCC1=CC(=O)NO1
InChI
InChI=1S/C5H7NO2/c1-2-4-3-5(7)6-8-4/h3H,2H2,1H3,(H,6,7)
InChIKey
COJBJDILSDCGSL-UHFFFAOYSA-N
Compound name
5-ethyl-1,2-oxazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

113.047676 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 117.3
[M+Na]+ 136.036894 127.2
[M-H]- 112.040400 119.5
[M+NH4]+ 131.081499 138.8
[M+K]+ 152.010834 126.8
[M+H-H2O]+ 96.044936 112.2
[M+HCOO]- 158.045877 140.8
[M+CH3COO]- 172.061527 163.5
[M+Na-2H]- 134.022342 125.1
[M]+ 113.04712742 118.3
[M]- 113.04822458 118.3
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