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

258
Patents

204.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 139.5
[M+Na]+ 227.06786 150.3
[M-H]- 203.07136 145.8
[M+NH4]+ 222.11246 159.1
[M+K]+ 243.04180 149.0
[M+H-H2O]+ 187.07590 133.6
[M+HCOO]- 249.07684 163.0
[M+CH3COO]- 263.09249 186.6
[M+Na-2H]- 225.05331 148.3
[M]+ 204.07809 144.8
[M]- 204.07919 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