CID 2776516

3-methyl-5-phenyl-isoxazole-4-carbaldehyde

Structural Information

Molecular Formula
C11H9NO2
SMILES
CC1=NOC(=C1C=O)C2=CC=CC=C2
InChI
InChI=1S/C11H9NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
IZULDLZFUWWFHF-UHFFFAOYSA-N
Compound name
3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

187.06332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 136.6
[M+Na]+ 210.05254 146.8
[M-H]- 186.05604 143.5
[M+NH4]+ 205.09714 155.7
[M+K]+ 226.02648 145.1
[M+H-H2O]+ 170.06058 129.9
[M+HCOO]- 232.06152 161.3
[M+CH3COO]- 246.07717 181.0
[M+Na-2H]- 208.03799 143.2
[M]+ 187.06277 139.5
[M]- 187.06387 139.5
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