CID 131750897

1-(7-hydroxy-2,2-dimethyl-2h-1-benzopyran-6-yl)-2-methoxyethanone

Structural Information

Molecular Formula
C14H16O4
SMILES
CC1(C=CC2=CC(=C(C=C2O1)O)C(=O)COC)C
InChI
InChI=1S/C14H16O4/c1-14(2)5-4-9-6-10(12(16)8-17-3)11(15)7-13(9)18-14/h4-7,15H,8H2,1-3H3
InChIKey
TZTBQYUROLBSLN-UHFFFAOYSA-N
Compound name
1-(7-hydroxy-2,2-dimethylchromen-6-yl)-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.10486 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.112136 153.3
[M+Na]+ 271.094078 162.2
[M-H]- 247.097584 157.7
[M+NH4]+ 266.138683 172.1
[M+K]+ 287.068018 161.2
[M+H-H2O]+ 231.102120 147.8
[M+HCOO]- 293.103061 172.2
[M+CH3COO]- 307.118711 193.0
[M+Na-2H]- 269.079526 159.6
[M]+ 248.10431142 157.2
[M]- 248.10540858 157.2
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.