CID 47809

66041-75-6

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCN(CC)CCOC(=O)C1=C(C2=CC=CC=C2O1)C
InChI
InChI=1S/C16H21NO3/c1-4-17(5-2)10-11-19-16(18)15-12(3)13-8-6-7-9-14(13)20-15/h6-9H,4-5,10-11H2,1-3H3
InChIKey
JZFWTZVHIUWKCI-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-methyl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 165.8
[M+Na]+ 298.141348 173.6
[M-H]- 274.144854 172.5
[M+NH4]+ 293.185953 184.2
[M+K]+ 314.115288 172.9
[M+H-H2O]+ 258.149390 159.0
[M+HCOO]- 320.150331 190.4
[M+CH3COO]- 334.165981 205.5
[M+Na-2H]- 296.126796 169.6
[M]+ 275.15158142 173.9
[M]- 275.15267858 173.9
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.