CID 9837737

7-(ethoxymethoxy)-2-oxo-2h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C13H11NO4
SMILES
CCOCOC1=CC2=C(C=C1)C=C(C(=O)O2)C#N
InChI
InChI=1S/C13H11NO4/c1-2-16-8-17-11-4-3-9-5-10(7-14)13(15)18-12(9)6-11/h3-6H,2,8H2,1H3
InChIKey
GWVWVNOJPMPUEH-UHFFFAOYSA-N
Compound name
7-(ethoxymethoxy)-2-oxochromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

245.0688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.076076 150.2
[M+Na]+ 268.058018 162.5
[M-H]- 244.061524 155.0
[M+NH4]+ 263.102623 166.0
[M+K]+ 284.031958 159.4
[M+H-H2O]+ 228.066060 137.2
[M+HCOO]- 290.067001 169.9
[M+CH3COO]- 304.082651 204.0
[M+Na-2H]- 266.043466 157.7
[M]+ 245.06825142 151.3
[M]- 245.06934858 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe