CID 155289445

Chebi:137523

Structural Information

Molecular Formula
C20H32
SMILES
C[C@@H]1CC[C@@H](C12CC[C@@H]3C2=C[C@@]4([C@H]3C(CC4)(C)C)C)C
InChI
InChI=1S/C20H32/c1-13-6-7-14(2)20(13)9-8-15-16(20)12-19(5)11-10-18(3,4)17(15)19/h12-15,17H,6-11H2,1-5H3/t13-,14+,15-,17-,19-,20?/m1/s1
InChIKey
RCIADIYJKCSKCC-WRRKAJKMSA-N
Compound name
(2'S,3aS,3bR,5'R,6aR)-2',4,4,5',6a-pentamethylspiro[2,3,3a,3b,5,6-hexahydrocyclopenta[a]pentalene-1,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 174.1
[M+Na]+ 295.23962 183.0
[M-H]- 271.24312 182.1
[M+NH4]+ 290.28422 205.9
[M+K]+ 311.21356 176.8
[M+H-H2O]+ 255.24766 171.3
[M+HCOO]- 317.24860 191.7
[M+CH3COO]- 331.26425 186.4
[M+Na-2H]- 293.22507 170.2
[M]+ 272.24985 172.0
[M]- 272.25095 172.0
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.