CID 66595

7-ethoxy-4-methylcoumarin

Structural Information

Molecular Formula
C12H12O3
SMILES
CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI
InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3
InChIKey
NKRISXMDKXBVRJ-UHFFFAOYSA-N
Compound name
7-ethoxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

265
Patents

204.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.085916 139.5
[M+Na]+ 227.067858 150.3
[M-H]- 203.071364 145.8
[M+NH4]+ 222.112463 159.1
[M+K]+ 243.041798 149.0
[M+H-H2O]+ 187.075900 133.6
[M+HCOO]- 249.076841 163.0
[M+CH3COO]- 263.092491 186.6
[M+Na-2H]- 225.053306 148.3
[M]+ 204.07809142 144.8
[M]- 204.07918858 144.8
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