CID 10606742

2,4-dimethyl-oxazole-5-carbaldehyde

Structural Information

Molecular Formula
C6H7NO2
SMILES
CC1=C(OC(=N1)C)C=O
InChI
InChI=1S/C6H7NO2/c1-4-6(3-8)9-5(2)7-4/h3H,1-2H3
InChIKey
OPTYBWVHZBYRGJ-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1,3-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

125.047676 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 120.0
[M+Na]+ 148.036894 130.8
[M-H]- 124.040400 123.8
[M+NH4]+ 143.081499 142.0
[M+K]+ 164.010834 131.2
[M+H-H2O]+ 108.044936 114.9
[M+HCOO]- 170.045877 144.7
[M+CH3COO]- 184.061527 170.3
[M+Na-2H]- 146.022342 127.1
[M]+ 125.04712742 123.6
[M]- 125.04822458 123.6
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