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]+ 210.07608 142.8
[M+Na]+ 232.05802 150.3
[M-H]- 208.06152 148.3
[M+NH4]+ 227.10262 159.6
[M+K]+ 248.03196 151.3
[M+H-H2O]+ 192.06606 136.5
[M+HCOO]- 254.06700 162.7
[M+CH3COO]- 268.08265 187.1
[M+Na-2H]- 230.04347 150.2
[M]+ 209.06825 143.8
[M]- 209.06935 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.