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
1
Annotation Hits

0
References

0
Patents

203.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 138.6
[M+Na]+ 226.04746 149.8
[M-H]- 202.05096 145.9
[M+NH4]+ 221.09206 157.3
[M+K]+ 242.02140 148.1
[M+H-H2O]+ 186.05550 132.0
[M+HCOO]- 248.05644 163.7
[M+CH3COO]- 262.07209 183.5
[M+Na-2H]- 224.03291 144.5
[M]+ 203.05769 142.7
[M]- 203.05879 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