CID 83478669

3-ethyl-1,2-oxazole-4-carbaldehyde

Structural Information

Molecular Formula
C6H7NO2
SMILES
CCC1=NOC=C1C=O
InChI
InChI=1S/C6H7NO2/c1-2-6-5(3-8)4-9-7-6/h3-4H,2H2,1H3
InChIKey
LWAMTBMTSYIUNG-UHFFFAOYSA-N
Compound name
3-ethyl-1,2-oxazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

125.047676 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 120.6
[M+Na]+ 148.036894 130.5
[M-H]- 124.040400 124.1
[M+NH4]+ 143.081499 142.3
[M+K]+ 164.010834 130.9
[M+H-H2O]+ 108.044936 115.2
[M+HCOO]- 170.045877 145.4
[M+CH3COO]- 184.061527 169.2
[M+Na-2H]- 146.022342 128.4
[M]+ 125.04712742 123.8
[M]- 125.04822458 123.8
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