CID 5319497

(z)-6-(2-methoxyvinyl)-7-methyl-2h-1-benzopyran-2-one

Structural Information

Molecular Formula
C13H12O3
SMILES
CC1=CC2=C(C=CC(=O)O2)C=C1/C=C\OC
InChI
InChI=1S/C13H12O3/c1-9-7-12-11(3-4-13(14)16-12)8-10(9)5-6-15-2/h3-8H,1-2H3/b6-5-
InChIKey
GENWIQAWAHKDHA-WAYWQWQTSA-N
Compound name
6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.085916 143.1
[M+Na]+ 239.067858 153.8
[M-H]- 215.071364 149.2
[M+NH4]+ 234.112463 162.2
[M+K]+ 255.041798 151.7
[M+H-H2O]+ 199.075900 137.0
[M+HCOO]- 261.076841 166.5
[M+CH3COO]- 275.092491 188.2
[M+Na-2H]- 237.053306 151.4
[M]+ 216.07809142 147.9
[M]- 216.07918858 147.9
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

No patent data available for this compound.