CID 10583429

200195-19-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
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

No literature data available for this compound.

Patent stripe

patents stripe