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 159.4
[M+Na]+ 313.06826 172.8
[M-H]- 289.07176 170.5
[M+NH4]+ 308.11286 172.1
[M+K]+ 329.04220 172.9
[M+H-H2O]+ 273.07630 154.6
[M+HCOO]- 335.07724 176.7
[M+CH3COO]- 349.09289 173.2
[M+Na-2H]- 311.05371 167.0
[M]+ 290.07849 170.0
[M]- 290.07959 170.0
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.