CID 10773638

200195-15-9

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1C(=O)NC2=C(O1)C=CC(=C2)C=O
InChI
InChI=1S/C9H7NO3/c11-4-6-1-2-8-7(3-6)10-9(12)5-13-8/h1-4H,5H2,(H,10,12)
InChIKey
VHKABBARGFUYOF-UHFFFAOYSA-N
Compound name
3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

303
Patents

177.04259 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 134.2
[M+Na]+ 200.03181 147.4
[M+NH4]+ 195.07641 142.2
[M+K]+ 216.00575 141.8
[M-H]- 176.03531 136.5
[M+Na-2H]- 198.01726 139.2
[M]+ 177.04204 136.6
[M]- 177.04314 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe