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]+ 249.11214 153.3
[M+Na]+ 271.09408 162.2
[M-H]- 247.09758 157.7
[M+NH4]+ 266.13868 172.1
[M+K]+ 287.06802 161.2
[M+H-H2O]+ 231.10212 147.8
[M+HCOO]- 293.10306 172.2
[M+CH3COO]- 307.11871 193.0
[M+Na-2H]- 269.07953 159.6
[M]+ 248.10431 157.2
[M]- 248.10541 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.