CID 22419888

3-(1,3-oxazol-5-yl)propanal

Structural Information

Molecular Formula
C6H7NO2
SMILES
C1=C(OC=N1)CCC=O
InChI
InChI=1S/C6H7NO2/c8-3-1-2-6-4-7-5-9-6/h3-5H,1-2H2
InChIKey
KEHBDUQJHFTUMQ-UHFFFAOYSA-N
Compound name
3-(1,3-oxazol-5-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

125.047676 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 121.1
[M+Na]+ 148.036894 130.1
[M-H]- 124.040400 124.1
[M+NH4]+ 143.081499 142.5
[M+K]+ 164.010834 130.5
[M+H-H2O]+ 108.044936 115.3
[M+HCOO]- 170.045877 145.9
[M+CH3COO]- 184.061527 168.1
[M+Na-2H]- 146.022342 129.6
[M]+ 125.04712742 123.9
[M]- 125.04822458 123.9
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