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

literature stripe

Patent stripe

patents stripe