CID 16727775

2-adamantyl 2-[(6r)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]acetate

Structural Information

Molecular Formula
C17H24O4
SMILES
C[C@@H]1C=CC(OO1)CC(=O)OC2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C17H24O4/c1-10-2-3-15(21-20-10)9-16(18)19-17-13-5-11-4-12(7-13)8-14(17)6-11/h2-3,10-15,17H,4-9H2,1H3/t10-,11?,12?,13?,14?,15?,17?/m1/s1
InChIKey
BODGJQADNUTJFS-BHGSCXPDSA-N
Compound name
2-adamantyl 2-[(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.16745 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 162.6
[M+Na]+ 315.15667 162.5
[M-H]- 291.16017 161.5
[M+NH4]+ 310.20127 180.1
[M+K]+ 331.13061 162.6
[M+H-H2O]+ 275.16471 154.9
[M+HCOO]- 337.16565 165.0
[M+CH3COO]- 351.18130 169.9
[M+Na-2H]- 313.14212 170.2
[M]+ 292.16690 164.0
[M]- 292.16800 164.0
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.