CID 10987158

2-hydroxy-6,7-dimethoxybenzoxazole

Structural Information

Molecular Formula
C9H9NO4
SMILES
COC1=C(C2=C(C=C1)NC(=O)O2)OC
InChI
InChI=1S/C9H9NO4/c1-12-6-4-3-5-7(8(6)13-2)14-9(11)10-5/h3-4H,1-2H3,(H,10,11)
InChIKey
FODHHOASVRMOPW-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

195.05316 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 134.4
[M+Na]+ 218.04238 146.7
[M-H]- 194.04588 138.5
[M+NH4]+ 213.08698 154.1
[M+K]+ 234.01632 145.4
[M+H-H2O]+ 178.05042 128.9
[M+HCOO]- 240.05136 158.4
[M+CH3COO]- 254.06701 179.5
[M+Na-2H]- 216.02783 142.6
[M]+ 195.05261 140.9
[M]- 195.05371 140.9
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