CID 73193397

Marshrin

Structural Information

Molecular Formula
C15H14O6
SMILES
CC12C(O1)C(OC2O)C3=C(C=CC4=C3OC(=O)C=C4)OC
InChI
InChI=1S/C15H14O6/c1-15-13(21-15)12(20-14(15)17)10-8(18-2)5-3-7-4-6-9(16)19-11(7)10/h3-6,12-14,17H,1-2H3
InChIKey
VUIRVFUCVWAGFV-UHFFFAOYSA-N
Compound name
8-(4-hydroxy-5-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.07904 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 164.1
[M+Na]+ 313.06826 179.6
[M+NH4]+ 308.11286 173.9
[M+K]+ 329.04220 176.2
[M-H]- 289.07176 177.8
[M+Na-2H]- 311.05371 170.8
[M]+ 290.07849 171.7
[M]- 290.07959 171.7
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

No patent data available for this compound.