CID 2358

Dimboa

Structural Information

Molecular Formula
C9H9NO5
SMILES
COC1=CC2=C(C=C1)N(C(=O)C(O2)O)O
InChI
InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
InChIKey
GDNZNIJPBQATCZ-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

141
References

434
Patents

211.04807 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 141.5
[M+Na]+ 234.03729 153.8
[M+NH4]+ 229.08189 148.1
[M+K]+ 250.01123 150.1
[M-H]- 210.04079 142.6
[M+Na-2H]- 232.02274 144.5
[M]+ 211.04752 143.3
[M]- 211.04862 143.3
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