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

10
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

patents stripe