CID 3055167

Byakangelicol

Structural Information

Molecular Formula
C17H16O6
SMILES
CC1([C@H](O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C
InChI
InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1
InChIKey
ORBITTMJKIGFNH-LLVKDONJSA-N
Compound name
9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-4-methoxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

104
Patents

316.0947 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10198 168.0
[M+Na]+ 339.08392 182.8
[M-H]- 315.08742 180.9
[M+NH4]+ 334.12852 180.5
[M+K]+ 355.05786 183.2
[M+H-H2O]+ 299.09196 162.4
[M+HCOO]- 361.09290 188.9
[M+CH3COO]- 375.10855 182.5
[M+Na-2H]- 337.06937 176.4
[M]+ 316.09415 183.5
[M]- 316.09525 183.5
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