CID 10582758

3-methylisoxazole-5-carbaldehyde

Structural Information

Molecular Formula
C5H5NO2
SMILES
CC1=NOC(=C1)C=O
InChI
InChI=1S/C5H5NO2/c1-4-2-5(3-7)8-6-4/h2-3H,1H3
InChIKey
GEWPFPUABRRBPS-UHFFFAOYSA-N
Compound name
3-methyl-1,2-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

111.03203 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 117.7
[M+Na]+ 134.02125 130.2
[M+NH4]+ 129.06585 126.0
[M+K]+ 149.99519 127.0
[M-H]- 110.02475 119.6
[M+Na-2H]- 132.00670 123.5
[M]+ 111.03148 119.9
[M]- 111.03258 119.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe