CID 28782500

4-[(1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1=CC(=CC=C1C=O)OCC2=NOC=N2
InChI
InChI=1S/C10H8N2O3/c13-5-8-1-3-9(4-2-8)14-6-10-11-7-15-12-10/h1-5,7H,6H2
InChIKey
PPMZOIYDTOEXKS-UHFFFAOYSA-N
Compound name
4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 139.5
[M+Na]+ 227.04272 149.0
[M-H]- 203.04622 144.6
[M+NH4]+ 222.08732 156.1
[M+K]+ 243.01666 147.9
[M+H-H2O]+ 187.05076 131.4
[M+HCOO]- 249.05170 163.3
[M+CH3COO]- 263.06735 181.7
[M+Na-2H]- 225.02817 147.1
[M]+ 204.05295 143.5
[M]- 204.05405 143.5
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

No patent data available for this compound.