CID 28951022

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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 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

No literature data available for this compound.

Patent stripe

patents stripe