CID 73813185

2-hydroxy-12-(2-hydroxypropan-2-yl)-7-methylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one

Structural Information

Molecular Formula
C15H20O6
SMILES
CC12CC3C(C(C1(C4C(C25CO5)O4)O)C(=O)O3)C(C)(C)O
InChI
InChI=1S/C15H20O6/c1-12(2,17)7-6-4-13(3)14(5-19-14)9-10(21-9)15(13,18)8(7)11(16)20-6/h6-10,17-18H,4-5H2,1-3H3
InChIKey
LGZSARJAXHVXEV-UHFFFAOYSA-N
Compound name
2-hydroxy-12-(2-hydroxypropan-2-yl)-7-methylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12598 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.133256 167.8
[M+Na]+ 319.115198 177.3
[M-H]- 295.118704 173.8
[M+NH4]+ 314.159803 179.1
[M+K]+ 335.089138 178.8
[M+H-H2O]+ 279.123240 168.6
[M+HCOO]- 341.124181 170.6
[M+CH3COO]- 355.139831 176.9
[M+Na-2H]- 317.100646 174.0
[M]+ 296.12543142 177.2
[M]- 296.12652858 177.2
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

No patent data available for this compound.