CID 5743079

(4as,4bs,4cs,6s,10as)-1,1,4a,6-tetramethyldecahydro-4ch-4b,6-methanobenzo[2,3]cyclopropa[1,2-a]naphthalen-7-one

Structural Information

Molecular Formula
C20H30O
SMILES
C[C@]12CCCC([C@@H]1CCC34[C@@]25C3CC(C5)(C(=O)C4)C)(C)C
InChI
InChI=1S/C20H30O/c1-16(2)7-5-8-18(4)13(16)6-9-19-11-15(21)17(3)10-14(19)20(18,19)12-17/h13-14H,5-12H2,1-4H3/t13-,14?,17?,18-,19?,20-/m0/s1
InChIKey
XPZKCQUJPRWCID-GMIZBANKSA-N
Compound name
(1S,2S,7S)-2,6,6,13-tetramethylpentacyclo[11.2.1.01,10.02,7.010,15]hexadecan-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.22968 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.23696 170.8
[M+Na]+ 309.21890 178.4
[M-H]- 285.22240 172.9
[M+NH4]+ 304.26350 197.0
[M+K]+ 325.19284 173.7
[M+H-H2O]+ 269.22694 162.5
[M+HCOO]- 331.22788 173.3
[M+CH3COO]- 345.24353 179.4
[M+Na-2H]- 307.20435 176.7
[M]+ 286.22913 173.3
[M]- 286.23023 173.3
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

No patent data available for this compound.