CID 37227

35689-12-4

Structural Information

Molecular Formula
C15H15NO5
SMILES
CN(C)CCOC(=O)C1=CC2=CC3=C(C=C2O1)OC=CO3
InChI
InChI=1S/C15H15NO5/c1-16(2)3-4-20-15(17)14-8-10-7-12-13(9-11(10)21-14)19-6-5-18-12/h5-9H,3-4H2,1-2H3
InChIKey
MPVMJIGRYMOTHP-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl furo[2,3-g][1,4]benzodioxine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09503 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.102306 164.3
[M+Na]+ 312.084248 172.8
[M-H]- 288.087754 173.4
[M+NH4]+ 307.128853 180.1
[M+K]+ 328.058188 175.0
[M+H-H2O]+ 272.092290 157.9
[M+HCOO]- 334.093231 185.9
[M+CH3COO]- 348.108881 205.6
[M+Na-2H]- 310.069696 172.0
[M]+ 289.09448142 173.4
[M]- 289.09557858 173.4
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.