CID 511358

Gosferol

Structural Information

Molecular Formula
C16H14O5
SMILES
CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O
InChI
InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,12,17H,1,8H2,2H3
InChIKey
BVMOMQJYQYBMKL-UHFFFAOYSA-N
Compound name
4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

17
Patents

286.08414 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.091416 161.6
[M+Na]+ 309.073358 171.7
[M-H]- 285.076864 168.1
[M+NH4]+ 304.117963 178.1
[M+K]+ 325.047298 170.5
[M+H-H2O]+ 269.081400 156.0
[M+HCOO]- 331.082341 181.6
[M+CH3COO]- 345.097991 199.3
[M+Na-2H]- 307.058806 167.3
[M]+ 286.08359142 168.9
[M]- 286.08468858 168.9
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