CID 66731260

4h-4a,9-methanoazuleno[5,6-d]-1,3-dioxole, octahydro-2,2,5,8,8,9a-hexamethyl-, (4ar,5r,7as,9r)-

Structural Information

Molecular Formula
C18H30O2
SMILES
C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)C4(C(C3)OC(O4)(C)C)C
InChI
InChI=1S/C18H30O2/c1-11-7-8-12-15(2,3)13-9-18(11,12)10-14-17(13,6)20-16(4,5)19-14/h11-14H,7-10H2,1-6H3/t11-,12+,13-,14?,17?,18-/m1/s1
InChIKey
YJVLDTISLGRQTJ-KPFXUCSBSA-N
Compound name
(1R,8R,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

306
Patents

278.22458 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.231856 162.8
[M+Na]+ 301.213798 172.2
[M-H]- 277.217304 169.3
[M+NH4]+ 296.258403 192.8
[M+K]+ 317.187738 169.2
[M+H-H2O]+ 261.221840 161.0
[M+HCOO]- 323.222781 175.5
[M+CH3COO]- 337.238431 175.4
[M+Na-2H]- 299.199246 165.4
[M]+ 278.22403142 164.6
[M]- 278.22512858 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe