CID 1909021

Ethyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C14H13NO4
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC#N)C
InChI
InChI=1S/C14H13NO4/c1-3-17-14(16)13-9(2)19-12-5-4-10(8-11(12)13)18-7-6-15/h4-5,8H,3,7H2,1-2H3
InChIKey
DXXUVLBRVGNWBD-UHFFFAOYSA-N
Compound name
ethyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.08447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 157.1
[M+Na]+ 282.07369 169.5
[M-H]- 258.07719 162.0
[M+NH4]+ 277.11829 174.1
[M+K]+ 298.04763 166.4
[M+H-H2O]+ 242.08173 144.5
[M+HCOO]- 304.08267 177.5
[M+CH3COO]- 318.09832 206.4
[M+Na-2H]- 280.05914 161.5
[M]+ 259.08392 159.8
[M]- 259.08502 159.8
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.