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]+ 233.080836 146.3
[M+Na]+ 255.062778 156.5
[M-H]- 231.066284 152.5
[M+NH4]+ 250.107383 164.6
[M+K]+ 271.036718 155.6
[M+H-H2O]+ 215.070820 140.1
[M+HCOO]- 277.071761 168.9
[M+CH3COO]- 291.087411 191.2
[M+Na-2H]- 253.048226 153.4
[M]+ 232.07301142 152.0
[M]- 232.07410858 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.