CID 71438319

Dorsteniol

Structural Information

Molecular Formula
C14H14O5
SMILES
CC(CO)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
InChI
InChI=1S/C14H14O5/c1-14(17,7-15)12-5-9-4-8-2-3-13(16)19-10(8)6-11(9)18-12/h2-4,6,12,15,17H,5,7H2,1H3
InChIKey
JWWIYTKCAJCERS-UHFFFAOYSA-N
Compound name
2-(1,2-dihydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.08414 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09142 154.0
[M+Na]+ 285.07336 166.1
[M+NH4]+ 280.11796 161.4
[M+K]+ 301.04730 164.0
[M-H]- 261.07686 157.0
[M+Na-2H]- 283.05881 156.5
[M]+ 262.08359 156.6
[M]- 262.08469 156.6
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