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
5
Annotation Hits

141
References

563
Patents

211.04807 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.055346 140.1
[M+Na]+ 234.037288 149.8
[M-H]- 210.040794 142.1
[M+NH4]+ 229.081893 156.5
[M+K]+ 250.011228 148.9
[M+H-H2O]+ 194.045330 134.0
[M+HCOO]- 256.046271 157.6
[M+CH3COO]- 270.061921 181.8
[M+Na-2H]- 232.022736 147.0
[M]+ 211.04752142 141.7
[M]- 211.04861858 141.7
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

patents stripe