CID 58884863

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

Structural Information

Molecular Formula
C6H7NO2
SMILES
CCC1=COC(=N1)C=O
InChI
InChI=1S/C6H7NO2/c1-2-5-4-9-6(3-8)7-5/h3-4H,2H2,1H3
InChIKey
NTBDUELOCYUWAZ-UHFFFAOYSA-N
Compound name
4-ethyl-1,3-oxazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

125.047676 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 120.6
[M+Na]+ 148.03689 130.5
[M-H]- 124.04040 124.1
[M+NH4]+ 143.08150 142.3
[M+K]+ 164.01083 130.9
[M+H-H2O]+ 108.04494 115.2
[M+HCOO]- 170.04588 145.4
[M+CH3COO]- 184.06153 169.2
[M+Na-2H]- 146.02234 128.4
[M]+ 125.04713 123.8
[M]- 125.04822 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