CID 146682148

Cattleyene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@@H]1CCC2=C3C[C@]4(CCC([C@H]4[C@@H]3CC[C@@]12C)(C)C)C
InChI
InChI=1S/C20H32/c1-13-6-7-16-15-12-19(4)11-10-18(2,3)17(19)14(15)8-9-20(13,16)5/h13-14,17H,6-12H2,1-5H3/t13-,14-,17-,19-,20+/m1/s1
InChIKey
RNFNEBCHHXUETQ-KSOAMXKZSA-N
Compound name
(5R,6S,9S,10R,14R)-5,6,11,11,14-pentamethyltetracyclo[7.6.0.02,6.010,14]pentadec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 172.6
[M+Na]+ 295.23962 181.1
[M-H]- 271.24312 178.6
[M+NH4]+ 290.28422 203.4
[M+K]+ 311.21356 174.4
[M+H-H2O]+ 255.24766 168.7
[M+HCOO]- 317.24860 187.6
[M+CH3COO]- 331.26425 184.3
[M+Na-2H]- 293.22507 170.7
[M]+ 272.24985 169.9
[M]- 272.25095 169.9
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.