CID 28951011

1083223-97-5

Structural Information

Molecular Formula
C5H5NO2
SMILES
CC1=CON=C1C=O
InChI
InChI=1S/C5H5NO2/c1-4-3-8-6-5(4)2-7/h2-3H,1H3
InChIKey
WELBDYPZKDYZOH-UHFFFAOYSA-N
Compound name
4-methyl-1,2-oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

111.03203 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.039306 115.8
[M+Na]+ 134.021248 126.2
[M-H]- 110.024754 119.4
[M+NH4]+ 129.065853 138.1
[M+K]+ 149.995188 126.8
[M+H-H2O]+ 94.029290 110.6
[M+HCOO]- 156.030231 140.9
[M+CH3COO]- 170.045881 166.1
[M+Na-2H]- 132.006696 124.2
[M]+ 111.03148142 118.7
[M]- 111.03257858 118.7
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

patents stripe