CID 72800869

2,3-dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C12H14O4
SMILES
CC1(C(C(=O)C2=C(O1)C=CC(=C2)OC)O)C
InChI
InChI=1S/C12H14O4/c1-12(2)11(14)10(13)8-6-7(15-3)4-5-9(8)16-12/h4-6,11,14H,1-3H3
InChIKey
YTGHSHJESKKQEY-UHFFFAOYSA-N
Compound name
3-hydroxy-6-methoxy-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

222.0892 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 145.7
[M+Na]+ 245.07842 158.9
[M+NH4]+ 240.12302 155.2
[M+K]+ 261.05236 151.8
[M-H]- 221.08192 148.7
[M+Na-2H]- 243.06387 151.3
[M]+ 222.08865 148.6
[M]- 222.08975 148.6
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

No patent data available for this compound.