CID 16727767

(3s)-5-(2-adamantyl)-3-methyl-3,6-dihydro-1,2-dioxine

Structural Information

Molecular Formula
C15H22O2
SMILES
C[C@H]1C=C(COO1)C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C15H22O2/c1-9-2-14(8-16-17-9)15-12-4-10-3-11(6-12)7-13(15)5-10/h2,9-13,15H,3-8H2,1H3/t9-,10?,11?,12?,13?,15?/m0/s1
InChIKey
ZZKNWUMNNFKJLB-HQODWTRASA-N
Compound name
(3S)-5-(2-adamantyl)-3-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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 148.6
[M+Na]+ 257.15121 149.7
[M-H]- 233.15471 148.1
[M+NH4]+ 252.19581 168.7
[M+K]+ 273.12515 149.0
[M+H-H2O]+ 217.15925 141.1
[M+HCOO]- 279.16019 152.3
[M+CH3COO]- 293.17584 157.2
[M+Na-2H]- 255.13666 157.9
[M]+ 234.16144 147.8
[M]- 234.16254 147.8
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.