CID 131751651

Marminal

Structural Information

Molecular Formula
C16H16O4
SMILES
C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/CCC=O
InChI
InChI=1S/C16H16O4/c1-12(3-2-9-17)8-10-19-14-6-4-13-5-7-16(18)20-15(13)11-14/h4-9,11H,2-3,10H2,1H3/b12-8+
InChIKey
OGCYHMZGMPRXBS-XYOKQWHBSA-N
Compound name
(E)-4-methyl-6-(2-oxochromen-7-yl)oxyhex-4-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10486 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 160.2
[M+Na]+ 295.09408 173.8
[M+NH4]+ 290.13868 167.3
[M+K]+ 311.06802 166.8
[M-H]- 271.09758 163.1
[M+Na-2H]- 293.07953 165.3
[M]+ 272.10431 162.9
[M]- 272.10541 162.9
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

patents stripe