CID 83481512

3-(5-oxazolyl)benzaldehyde

Structural Information

Molecular Formula
C10H7NO2
SMILES
C1=CC(=CC(=C1)C2=CN=CO2)C=O
InChI
InChI=1S/C10H7NO2/c12-6-8-2-1-3-9(4-8)10-5-11-7-13-10/h1-7H
InChIKey
ZYPJXECMJZZEAP-UHFFFAOYSA-N
Compound name
3-(1,3-oxazol-5-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.04768 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.054956 132.1
[M+Na]+ 196.036898 141.8
[M-H]- 172.040404 138.8
[M+NH4]+ 191.081503 151.5
[M+K]+ 212.010838 140.4
[M+H-H2O]+ 156.044940 125.3
[M+HCOO]- 218.045881 157.1
[M+CH3COO]- 232.061531 176.8
[M+Na-2H]- 194.022346 140.0
[M]+ 173.04713142 134.3
[M]- 173.04822858 134.3
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.