CID 45089851

179262-62-5

Structural Information

Molecular Formula
C10H11NO4
SMILES
COC(=O)C1=C(C=CC2=C1OCCO2)N
InChI
InChI=1S/C10H11NO4/c1-13-10(12)8-6(11)2-3-7-9(8)15-5-4-14-7/h2-3H,4-5,11H2,1H3
InChIKey
RXXFFQMYQXTBHO-UHFFFAOYSA-N
Compound name
methyl 6-amino-2,3-dihydro-1,4-benzodioxine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 142.8
[M+Na]+ 232.058018 150.3
[M-H]- 208.061524 148.3
[M+NH4]+ 227.102623 159.6
[M+K]+ 248.031958 151.3
[M+H-H2O]+ 192.066060 136.5
[M+HCOO]- 254.067001 162.7
[M+CH3COO]- 268.082651 187.1
[M+Na-2H]- 230.043466 150.2
[M]+ 209.06825142 143.8
[M]- 209.06934858 143.8
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

No patent data available for this compound.