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]+ 217.08592 143.1
[M+Na]+ 239.06786 153.8
[M-H]- 215.07136 149.2
[M+NH4]+ 234.11246 162.2
[M+K]+ 255.04180 151.7
[M+H-H2O]+ 199.07590 137.0
[M+HCOO]- 261.07684 166.5
[M+CH3COO]- 275.09249 188.2
[M+Na-2H]- 237.05331 151.4
[M]+ 216.07809 147.9
[M]- 216.07919 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.