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]+ 293.174726 162.6
[M+Na]+ 315.156668 162.5
[M-H]- 291.160174 161.5
[M+NH4]+ 310.201273 180.1
[M+K]+ 331.130608 162.6
[M+H-H2O]+ 275.164710 154.9
[M+HCOO]- 337.165651 165.0
[M+CH3COO]- 351.181301 169.9
[M+Na-2H]- 313.142116 170.2
[M]+ 292.16690142 164.0
[M]- 292.16799858 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.