CID 47779

65919-90-6

Structural Information

Molecular Formula
C14H17NO4
SMILES
CCOC(=O)C1=CC2=C(O1)C=CC(=C2CN(C)C)O
InChI
InChI=1S/C14H17NO4/c1-4-18-14(17)13-7-9-10(8-15(2)3)11(16)5-6-12(9)19-13/h5-7,16H,4,8H2,1-3H3
InChIKey
QJNLUCCKZDATKB-UHFFFAOYSA-N
Compound name
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 158.8
[M+Na]+ 286.104968 167.7
[M-H]- 262.108474 164.9
[M+NH4]+ 281.149573 177.2
[M+K]+ 302.078908 167.4
[M+H-H2O]+ 246.113010 152.8
[M+HCOO]- 308.113951 182.8
[M+CH3COO]- 322.129601 200.5
[M+Na-2H]- 284.090416 162.8
[M]+ 263.11520142 166.2
[M]- 263.11629858 166.2
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.