CID 217992

39992-64-8

Structural Information

Molecular Formula
C15H16O4
SMILES
COC1=CC=C(C=C1)C(=O)CC2C(=O)CCCC2=O
InChI
InChI=1S/C15H16O4/c1-19-11-7-5-10(6-8-11)15(18)9-12-13(16)3-2-4-14(12)17/h5-8,12H,2-4,9H2,1H3
InChIKey
CDGMHSBSEMTFNG-UHFFFAOYSA-N
Compound name
2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 158.2
[M+Na]+ 283.09408 170.2
[M+NH4]+ 278.13868 165.3
[M+K]+ 299.06802 164.1
[M-H]- 259.09758 160.9
[M+Na-2H]- 281.07953 163.9
[M]+ 260.10431 160.4
[M]- 260.10541 160.4
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.