CID 157953

Triphasiol

Structural Information

Molecular Formula
C19H24O6
SMILES
CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OCC(C(C)(C)O)O
InChI
InChI=1S/C19H24O6/c1-11(2)14(20)9-13-15(24-10-16(21)19(3,4)23)7-5-12-6-8-17(22)25-18(12)13/h5-8,11,16,21,23H,9-10H2,1-4H3
InChIKey
DMSHDRKZHASQRO-UHFFFAOYSA-N
Compound name
7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

348.1573 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16458 179.4
[M+Na]+ 371.14652 189.4
[M+NH4]+ 366.19112 183.8
[M+K]+ 387.12046 186.9
[M-H]- 347.15002 179.3
[M+Na-2H]- 369.13197 180.9
[M]+ 348.15675 180.6
[M]- 348.15785 180.6
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

patents stripe