CID 620774

7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,1,4a,7-tetramethylphenanthrene

Structural Information

Molecular Formula
C20H32
SMILES
CC1(CCCC2(C1CCC3=C2CCC(C3)(C)C=C)C)C
InChI
InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,17H,1,7-14H2,2-5H3
InChIKey
OROJBMPJDLLRFD-UHFFFAOYSA-N
Compound name
2-ethenyl-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.2504 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.257676 168.0
[M+Na]+ 295.239618 173.6
[M-H]- 271.243124 171.9
[M+NH4]+ 290.284223 192.4
[M+K]+ 311.213558 168.5
[M+H-H2O]+ 255.247660 161.4
[M+HCOO]- 317.248601 179.8
[M+CH3COO]- 331.264251 203.3
[M+Na-2H]- 293.225066 171.2
[M]+ 272.24985142 161.8
[M]- 272.25094858 161.8
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

patents stripe