CID 3008092

2-ethyl-4-hydroxy-6-methoxy-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C11H13NO4
SMILES
CCC1C(=O)N(C2=C(O1)C=CC(=C2)OC)O
InChI
InChI=1S/C11H13NO4/c1-3-9-11(13)12(14)8-6-7(15-2)4-5-10(8)16-9/h4-6,9,14H,3H2,1-2H3
InChIKey
TUPYNVCBPRAXCT-UHFFFAOYSA-N
Compound name
2-ethyl-4-hydroxy-6-methoxy-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.08446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 146.2
[M+Na]+ 246.073678 155.5
[M-H]- 222.077184 149.2
[M+NH4]+ 241.118283 162.8
[M+K]+ 262.047618 154.4
[M+H-H2O]+ 206.081720 139.6
[M+HCOO]- 268.082661 164.3
[M+CH3COO]- 282.098311 187.9
[M+Na-2H]- 244.059126 152.3
[M]+ 223.08391142 148.7
[M]- 223.08500858 148.7
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

No patent data available for this compound.