CID 504661

Chembl81249

Structural Information

Molecular Formula
C11H11NO3
SMILES
CCOC1=NC2=CC=CC(=C2C(=O)O1)C
InChI
InChI=1S/C11H11NO3/c1-3-14-11-12-8-6-4-5-7(2)9(8)10(13)15-11/h4-6H,3H2,1-2H3
InChIKey
RXRDLQPDTPLKJM-UHFFFAOYSA-N
Compound name
2-ethoxy-5-methyl-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

205.0739 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 140.1
[M+Na]+ 228.06312 151.3
[M-H]- 204.06662 145.0
[M+NH4]+ 223.10772 158.3
[M+K]+ 244.03706 150.0
[M+H-H2O]+ 188.07116 133.3
[M+HCOO]- 250.07210 162.6
[M+CH3COO]- 264.08775 186.3
[M+Na-2H]- 226.04857 149.3
[M]+ 205.07335 145.5
[M]- 205.07445 145.5
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