CID 135552047

5568-86-5

Structural Information

Molecular Formula
C12H11NO6
SMILES
CCOC(=O)CC1=NC2=C(C(=C(C=C2)O)O)OC1=O
InChI
InChI=1S/C12H11NO6/c1-2-18-9(15)5-7-12(17)19-11-6(13-7)3-4-8(14)10(11)16/h3-4,14,16H,2,5H2,1H3
InChIKey
BEICTMDSUWFXJO-UHFFFAOYSA-N
Compound name
ethyl 2-(7,8-dihydroxy-2-oxo-1,4-benzoxazin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.05862 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06590 153.4
[M+Na]+ 288.04784 163.6
[M-H]- 264.05134 155.7
[M+NH4]+ 283.09244 167.5
[M+K]+ 304.02178 162.3
[M+H-H2O]+ 248.05588 146.5
[M+HCOO]- 310.05682 172.1
[M+CH3COO]- 324.07247 192.0
[M+Na-2H]- 286.03329 159.4
[M]+ 265.05807 158.8
[M]- 265.05917 158.8
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

patents stripe