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
3
Annotation Hits

0
References

320
Patents

278.22458 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23186 162.8
[M+Na]+ 301.21380 172.2
[M-H]- 277.21730 169.3
[M+NH4]+ 296.25840 192.8
[M+K]+ 317.18774 169.2
[M+H-H2O]+ 261.22184 161.0
[M+HCOO]- 323.22278 175.5
[M+CH3COO]- 337.23843 175.4
[M+Na-2H]- 299.19925 165.4
[M]+ 278.22403 164.6
[M]- 278.22513 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