CID 15381927

(+)-15-beyeren-3-one

Structural Information

Molecular Formula
C20H30O
SMILES
C[C@]12CC[C@H]3[C@@]4(CCC(=O)C([C@H]4CC[C@@]3(C1)C=C2)(C)C)C
InChI
InChI=1S/C20H30O/c1-17(2)14-6-10-20-12-11-18(3,13-20)8-5-15(20)19(14,4)9-7-16(17)21/h11-12,14-15H,5-10,13H2,1-4H3/t14-,15+,18-,19-,20+/m1/s1
InChIKey
XRTFKEQRSMHTMN-DGWIIEBVSA-N
Compound name
(1R,4S,9S,10S,13S)-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.22968 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.23696 171.3
[M+Na]+ 309.21890 178.4
[M-H]- 285.22240 175.5
[M+NH4]+ 304.26350 199.7
[M+K]+ 325.19284 172.5
[M+H-H2O]+ 269.22694 164.3
[M+HCOO]- 331.22788 182.1
[M+CH3COO]- 345.24353 181.6
[M+Na-2H]- 307.20435 174.7
[M]+ 286.22913 166.8
[M]- 286.23023 166.8
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.