CID 92555

56878-25-2

Structural Information

Molecular Formula
C11H9NO3
SMILES
CN1C(=C(C(=O)O1)C=O)C2=CC=CC=C2
InChI
InChI=1S/C11H9NO3/c1-12-10(8-5-3-2-4-6-8)9(7-13)11(14)15-12/h2-7H,1H3
InChIKey
REFHEJODAIDWGH-UHFFFAOYSA-N
Compound name
2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

203.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 138.6
[M+Na]+ 226.047458 149.8
[M-H]- 202.050964 145.9
[M+NH4]+ 221.092063 157.3
[M+K]+ 242.021398 148.1
[M+H-H2O]+ 186.055500 132.0
[M+HCOO]- 248.056441 163.7
[M+CH3COO]- 262.072091 183.5
[M+Na-2H]- 224.032906 144.5
[M]+ 203.05769142 142.7
[M]- 203.05878858 142.7
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