CID 3641956

26518-71-8

Structural Information

Molecular Formula
C10H9NO3
SMILES
CC(=O)C1=CC2=C(C=C1)OCC(=O)N2
InChI
InChI=1S/C10H9NO3/c1-6(12)7-2-3-9-8(4-7)11-10(13)5-14-9/h2-4H,5H2,1H3,(H,11,13)
InChIKey
BKJFWHFUERNXLJ-UHFFFAOYSA-N
Compound name
6-acetyl-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
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 137.5
[M+Na]+ 214.047458 145.6
[M-H]- 190.050964 140.0
[M+NH4]+ 209.092063 154.8
[M+K]+ 230.021398 143.9
[M+H-H2O]+ 174.055500 131.2
[M+HCOO]- 236.056441 155.1
[M+CH3COO]- 250.072091 180.2
[M+Na-2H]- 212.032906 144.3
[M]+ 191.05769142 136.1
[M]- 191.05878858 136.1
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