CID 35703

7-ethoxycoumarin

Structural Information

Molecular Formula
C11H10O3
SMILES
CCOC1=CC2=C(C=C1)C=CC(=O)O2
InChI
InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3
InChIKey
LIFAQMGORKPVDH-UHFFFAOYSA-N
Compound name
7-ethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

372
References

2112
Patents

190.06299 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 135.8
[M+Na]+ 213.05221 151.2
[M+NH4]+ 208.09681 145.0
[M+K]+ 229.02615 144.3
[M-H]- 189.05571 140.1
[M+Na-2H]- 211.03766 143.4
[M]+ 190.06244 139.3
[M]- 190.06354 139.3
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