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]+ 235.16927 148.9
[M+Na]+ 257.15121 150.5
[M-H]- 233.15471 148.4
[M+NH4]+ 252.19581 170.7
[M+K]+ 273.12515 149.5
[M+H-H2O]+ 217.15925 140.7
[M+HCOO]- 279.16019 152.6
[M+CH3COO]- 293.17584 157.6
[M+Na-2H]- 255.13666 159.5
[M]+ 234.16144 148.1
[M]- 234.16254 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.