CID 23513103

176431-77-9

Structural Information

Molecular Formula
C11H12O3
SMILES
CCOC1=CC2=C(C=C1)OCCC2=O
InChI
InChI=1S/C11H12O3/c1-2-13-8-3-4-11-9(7-8)10(12)5-6-14-11/h3-4,7H,2,5-6H2,1H3
InChIKey
YZTKUWPOHQJLDT-UHFFFAOYSA-N
Compound name
6-ethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

192.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 137.5
[M+Na]+ 215.067858 145.6
[M-H]- 191.071364 142.7
[M+NH4]+ 210.112463 157.0
[M+K]+ 231.041798 144.9
[M+H-H2O]+ 175.075900 131.6
[M+HCOO]- 237.076841 158.4
[M+CH3COO]- 251.092491 183.0
[M+Na-2H]- 213.053306 145.6
[M]+ 192.07809142 139.1
[M]- 192.07918858 139.1
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