CID 2795222

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

Structural Information

Molecular Formula
C5H5NO2
SMILES
CC1=CC(=NO1)C=O
InChI
InChI=1S/C5H5NO2/c1-4-2-5(3-7)6-8-4/h2-3H,1H3
InChIKey
OCOCVXUEFWNRJU-UHFFFAOYSA-N
Compound name
5-methyl-1,2-oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

697
Patents

111.03203 Da
Monoisotopic Mass

0.3
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

literature stripe

Patent stripe

patents stripe