CID 177798486

3-ethyl-5-methyl-1,2-oxazole-4-carbaldehyde

Structural Information

Molecular Formula
C7H9NO2
SMILES
CCC1=NOC(=C1C=O)C
InChI
InChI=1S/C7H9NO2/c1-3-7-6(4-9)5(2)10-8-7/h4H,3H2,1-2H3
InChIKey
FBXWPTYWIJTEGC-UHFFFAOYSA-N
Compound name
3-ethyl-5-methyl-1,2-oxazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 124.8
[M+Na]+ 162.052538 135.2
[M-H]- 138.056044 128.4
[M+NH4]+ 157.097143 146.2
[M+K]+ 178.026478 135.3
[M+H-H2O]+ 122.060580 119.4
[M+HCOO]- 184.061521 149.2
[M+CH3COO]- 198.077171 173.3
[M+Na-2H]- 160.037986 131.4
[M]+ 139.06277142 128.7
[M]- 139.06386858 128.7
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

No patent data available for this compound.