CID 50990812

2-(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-4-yl)acetaldehyde

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1C(=O)N(C2=CC=CC=C2O1)CC=O
InChI
InChI=1S/C10H9NO3/c12-6-5-11-8-3-1-2-4-9(8)14-7-10(11)13/h1-4,6H,5,7H2
InChIKey
UOOVJUTYTFJOCH-UHFFFAOYSA-N
Compound name
2-(3-oxo-1,4-benzoxazin-4-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

191.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 136.6
[M+Na]+ 214.047458 145.4
[M-H]- 190.050964 140.4
[M+NH4]+ 209.092063 154.6
[M+K]+ 230.021398 144.1
[M+H-H2O]+ 174.055500 129.8
[M+HCOO]- 236.056441 156.7
[M+CH3COO]- 250.072091 181.9
[M+Na-2H]- 212.032906 145.1
[M]+ 191.05769142 137.6
[M]- 191.05878858 137.6
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