CID 107412

Beyer-15-ene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@]12CC[C@H]3[C@@]4(CCCC([C@H]4CC[C@@]3(C1)C=C2)(C)C)C
InChI
InChI=1S/C20H32/c1-17(2)8-5-9-19(4)15(17)7-11-20-13-12-18(3,14-20)10-6-16(19)20/h12-13,15-16H,5-11,14H2,1-4H3/t15-,16+,18-,19-,20+/m1/s1
InChIKey
GXMKKDDGINQVBE-LHDHZVESSA-N
Compound name
(1R,4R,9R,10S,13S)-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

272.2504 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 170.7
[M+Na]+ 295.23962 176.7
[M-H]- 271.24312 174.6
[M+NH4]+ 290.28422 199.4
[M+K]+ 311.21356 170.6
[M+H-H2O]+ 255.24766 163.0
[M+HCOO]- 317.24860 181.2
[M+CH3COO]- 331.26425 180.6
[M+Na-2H]- 293.22507 174.1
[M]+ 272.24985 164.9
[M]- 272.25095 164.9
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

patents stripe