CID 5743074

9,11a-methano-11ah-cyclohepta[a]naphthalen-8(9h)-one, dodecahydro-4,4,9,11b-tetramethyl-, (4as,6as,9s,11as,11bs)-

Structural Information

Molecular Formula
C20H32O
SMILES
C[C@]12CCCC([C@@H]1CC[C@@H]3[C@@]24CCC(C4)(C(=O)C3)C)(C)C
InChI
InChI=1S/C20H32O/c1-17(2)8-5-9-19(4)15(17)7-6-14-12-16(21)18(3)10-11-20(14,19)13-18/h14-15H,5-13H2,1-4H3/t14-,15-,18?,19-,20-/m0/s1
InChIKey
DFHAOGRAZJGEAA-YXCBULPHSA-N
Compound name
(1S,2S,7S,10S)-2,6,6,13-tetramethyltetracyclo[11.2.1.01,10.02,7]hexadecan-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 172.9
[M+Na]+ 311.23455 178.9
[M-H]- 287.23805 176.6
[M+NH4]+ 306.27915 201.0
[M+K]+ 327.20849 173.1
[M+H-H2O]+ 271.24259 166.0
[M+HCOO]- 333.24353 182.1
[M+CH3COO]- 347.25918 182.5
[M+Na-2H]- 309.22000 175.3
[M]+ 288.24478 166.9
[M]- 288.24588 166.9
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.