CID 64083469

3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde

Structural Information

Molecular Formula
C10H9NO3
SMILES
CCN1C2=C(C=C(C=C2)C=O)OC1=O
InChI
InChI=1S/C10H9NO3/c1-2-11-8-4-3-7(6-12)5-9(8)14-10(11)13/h3-6H,2H2,1H3
InChIKey
SIDGLGGDIFDGGB-UHFFFAOYSA-N
Compound name
3-ethyl-2-oxo-1,3-benzoxazole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 134.4
[M+Na]+ 214.047458 147.2
[M-H]- 190.050964 139.7
[M+NH4]+ 209.092063 155.1
[M+K]+ 230.021398 145.4
[M+H-H2O]+ 174.055500 128.7
[M+HCOO]- 236.056441 159.6
[M+CH3COO]- 250.072091 182.1
[M+Na-2H]- 212.032906 142.5
[M]+ 191.05769142 140.9
[M]- 191.05878858 140.9
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.