CID 16727765

(3s,6s)-3-(1-adamantyl)-6-methyl-3,6-dihydro-1,2-dioxine

Structural Information

Molecular Formula
C15H22O2
SMILES
C[C@H]1C=C[C@H](OO1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C15H22O2/c1-10-2-3-14(17-16-10)15-7-11-4-12(8-15)6-13(5-11)9-15/h2-3,10-14H,4-9H2,1H3/t10-,11?,12?,13?,14-,15?/m0/s1
InChIKey
NFNRJGQFDQGABQ-WGLJQIFGSA-N
Compound name
(3S,6S)-3-(1-adamantyl)-6-methyl-3,6-dihydro-1,2-dioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 148.9
[M+Na]+ 257.151208 150.5
[M-H]- 233.154714 148.4
[M+NH4]+ 252.195813 170.7
[M+K]+ 273.125148 149.5
[M+H-H2O]+ 217.159250 140.7
[M+HCOO]- 279.160191 152.6
[M+CH3COO]- 293.175841 157.6
[M+Na-2H]- 255.136656 159.5
[M]+ 234.16144142 148.1
[M]- 234.16253858 148.1
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.