CID 22081030

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

Structural Information

Molecular Formula
C5H5NO2
SMILES
CC1=CN=C(O1)C=O
InChI
InChI=1S/C5H5NO2/c1-4-2-6-5(3-7)8-4/h2-3H,1H3
InChIKey
CLRKQIWCZIKAAO-UHFFFAOYSA-N
Compound name
5-methyl-1,3-oxazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

111.03203 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 115.8
[M+Na]+ 134.02125 126.2
[M-H]- 110.02475 119.4
[M+NH4]+ 129.06585 138.1
[M+K]+ 149.99519 126.8
[M+H-H2O]+ 94.029290 110.6
[M+HCOO]- 156.03023 140.9
[M+CH3COO]- 170.04588 166.1
[M+Na-2H]- 132.00670 124.2
[M]+ 111.03148 118.7
[M]- 111.03258 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