CID 659279

299169-62-3

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)N
InChI
InChI=1S/C9H9NO3/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H2,10,11)
InChIKey
HZHZDULNPYDZAQ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

128
Patents

179.05824 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 134.9
[M+Na]+ 202.04746 141.9
[M-H]- 178.05096 140.1
[M+NH4]+ 197.09206 152.6
[M+K]+ 218.02140 142.5
[M+H-H2O]+ 162.05550 128.8
[M+HCOO]- 224.05644 154.9
[M+CH3COO]- 238.07209 181.3
[M+Na-2H]- 200.03291 143.5
[M]+ 179.05769 133.7
[M]- 179.05879 133.7
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