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]+ 224.09174 146.2
[M+Na]+ 246.07368 155.5
[M-H]- 222.07718 149.2
[M+NH4]+ 241.11828 162.8
[M+K]+ 262.04762 154.4
[M+H-H2O]+ 206.08172 139.6
[M+HCOO]- 268.08266 164.3
[M+CH3COO]- 282.09831 187.9
[M+Na-2H]- 244.05913 152.3
[M]+ 223.08391 148.7
[M]- 223.08501 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.