CID 504659

2-ethoxy-4h-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C10H9NO3
SMILES
CCOC1=NC2=CC=CC=C2C(=O)O1
InChI
InChI=1S/C10H9NO3/c1-2-13-10-11-8-6-4-3-5-7(8)9(12)14-10/h3-6H,2H2,1H3
InChIKey
LNKMWCFXYLCVPI-UHFFFAOYSA-N
Compound name
2-ethoxy-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

191.05824 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 135.4
[M+Na]+ 214.04746 146.1
[M-H]- 190.05096 140.0
[M+NH4]+ 209.09206 153.8
[M+K]+ 230.02140 145.0
[M+H-H2O]+ 174.05550 128.6
[M+HCOO]- 236.05644 158.2
[M+CH3COO]- 250.07209 182.0
[M+Na-2H]- 212.03291 145.9
[M]+ 191.05769 140.0
[M]- 191.05879 140.0
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

No patent data available for this compound.