CID 854695

4-ethyl-2-oxo-2h-chromen-7-yl acetate

Structural Information

Molecular Formula
C13H12O4
SMILES
CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C
InChI
InChI=1S/C13H12O4/c1-3-9-6-13(15)17-12-7-10(16-8(2)14)4-5-11(9)12/h4-7H,3H2,1-2H3
InChIKey
KZDVBTUMPAUMTH-UHFFFAOYSA-N
Compound name
(4-ethyl-2-oxochromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.07356 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08084 146.3
[M+Na]+ 255.06278 156.5
[M-H]- 231.06628 152.5
[M+NH4]+ 250.10738 164.6
[M+K]+ 271.03672 155.6
[M+H-H2O]+ 215.07082 140.1
[M+HCOO]- 277.07176 168.9
[M+CH3COO]- 291.08741 191.2
[M+Na-2H]- 253.04823 153.4
[M]+ 232.07301 152.0
[M]- 232.07411 152.0
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

No patent data available for this compound.