CID 85503029

163365-14-8

Structural Information

Molecular Formula
C15H22O5
SMILES
CC1C(C2=C(CO1)C(C3(C(C2O)O3)CC=C(C)C)O)O
InChI
InChI=1S/C15H22O5/c1-7(2)4-5-15-13(18)9-6-19-8(3)11(16)10(9)12(17)14(15)20-15/h4,8,11-14,16-18H,5-6H2,1-3H3
InChIKey
ICHJNTDKHBXTFN-UHFFFAOYSA-N
Compound name
5-methyl-1a-(3-methylbut-2-enyl)-2,3,5,6,7,7a-hexahydrooxireno[2,3-g]isochromene-2,6,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.14673 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15401 163.5
[M+Na]+ 305.13595 172.8
[M-H]- 281.13945 167.1
[M+NH4]+ 300.18055 175.0
[M+K]+ 321.10989 170.8
[M+H-H2O]+ 265.14399 159.1
[M+HCOO]- 327.14493 172.9
[M+CH3COO]- 341.16058 200.0
[M+Na-2H]- 303.12140 167.3
[M]+ 282.14618 167.2
[M]- 282.14728 167.2
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.