CID 42608214

(+)-13(17),15-cleistanthadiene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@]12CCCC([C@@H]1CC[C@@H]3C2CCC(=C)[C@@H]3C=C)(C)C
InChI
InChI=1S/C20H32/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,15-18H,1-2,7-13H2,3-5H3/t15-,16-,17?,18-,20+/m0/s1
InChIKey
GOFPPPBRKRVCKN-OAQMNZSCSA-N
Compound name
(1R,4bR,8aS,10aR)-1-ethenyl-4b,8,8-trimethyl-2-methylidene-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 168.3
[M+Na]+ 295.23962 172.9
[M-H]- 271.24312 171.7
[M+NH4]+ 290.28422 190.8
[M+K]+ 311.21356 167.2
[M+H-H2O]+ 255.24766 161.9
[M+HCOO]- 317.24860 178.7
[M+CH3COO]- 331.26425 204.3
[M+Na-2H]- 293.22507 168.8
[M]+ 272.24985 159.8
[M]- 272.25095 159.8
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.