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]+ 192.06552 136.6
[M+Na]+ 214.04746 145.4
[M-H]- 190.05096 140.4
[M+NH4]+ 209.09206 154.6
[M+K]+ 230.02140 144.1
[M+H-H2O]+ 174.05550 129.8
[M+HCOO]- 236.05644 156.7
[M+CH3COO]- 250.07209 181.9
[M+Na-2H]- 212.03291 145.1
[M]+ 191.05769 137.6
[M]- 191.05879 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