CID 12513538

5,7-dimethyl-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1=CC(=C2C(=O)CCOC2=C1)C
InChI
InChI=1S/C11H12O2/c1-7-5-8(2)11-9(12)3-4-13-10(11)6-7/h5-6H,3-4H2,1-2H3
InChIKey
MIBUSJIRWIYZIY-UHFFFAOYSA-N
Compound name
5,7-dimethyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 134.8
[M+Na]+ 199.07294 149.3
[M+NH4]+ 194.11754 144.6
[M+K]+ 215.04688 142.5
[M-H]- 175.07644 139.4
[M+Na-2H]- 197.05839 140.9
[M]+ 176.08317 138.3
[M]- 176.08427 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.