CID 10583429

3-oxo-3,4-dihydro-2h-1,4-benzoxazine-7-carbaldehyde

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

56
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 132.6
[M+Na]+ 200.03181 141.5
[M-H]- 176.03531 135.3
[M+NH4]+ 195.07641 150.5
[M+K]+ 216.00575 139.5
[M+H-H2O]+ 160.03985 126.3
[M+HCOO]- 222.04079 151.6
[M+CH3COO]- 236.05644 176.3
[M+Na-2H]- 198.01726 141.2
[M]+ 177.04204 131.5
[M]- 177.04314 131.5
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