CID 3146109

20197-76-6

Structural Information

Molecular Formula
C10H11NO4
SMILES
COC(=O)C1=CC2=C(C=C1N)OCCO2
InChI
InChI=1S/C10H11NO4/c1-13-10(12)6-4-8-9(5-7(6)11)15-3-2-14-8/h4-5H,2-3,11H2,1H3
InChIKey
FOTPSTARXZXRFU-UHFFFAOYSA-N
Compound name
methyl 6-amino-2,3-dihydro-1,4-benzodioxine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

44
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

literature stripe

Patent stripe

patents stripe