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]+ 290.10231 164.3
[M+Na]+ 312.08425 172.8
[M-H]- 288.08775 173.4
[M+NH4]+ 307.12885 180.1
[M+K]+ 328.05819 175.0
[M+H-H2O]+ 272.09229 157.9
[M+HCOO]- 334.09323 185.9
[M+CH3COO]- 348.10888 205.6
[M+Na-2H]- 310.06970 172.0
[M]+ 289.09448 173.4
[M]- 289.09558 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.