CID 67239220

153787-16-7

Structural Information

Molecular Formula
C12H12O4
SMILES
CCOC(=O)C1COC2=CC=CC=C2C1=O
InChI
InChI=1S/C12H12O4/c1-2-15-12(14)9-7-16-10-6-4-3-5-8(10)11(9)13/h3-6,9H,2,7H2,1H3
InChIKey
WBTNJXOCKWYEAJ-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-2,3-dihydrochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

220.07356 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 145.3
[M+Na]+ 243.06278 157.9
[M+NH4]+ 238.10738 153.3
[M+K]+ 259.03672 152.4
[M-H]- 219.06628 148.2
[M+Na-2H]- 241.04823 149.8
[M]+ 220.07301 147.8
[M]- 220.07411 147.8
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

patents stripe