CID 25202892

(4as)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene

Structural Information

Molecular Formula
C20H32
SMILES
CC(C)C1=CC2=C(CC1)[C@]3(CCCC(C3CC2)(C)C)C
InChI
InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13-14,18H,6-12H2,1-5H3/t18?,20-/m1/s1
InChIKey
KEQXEEMBFONZBL-ROPPNANJSA-N
Compound name
(4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 170.8
[M+Na]+ 295.23962 182.9
[M+NH4]+ 290.28422 184.5
[M+K]+ 311.21356 170.2
[M-H]- 271.24312 175.4
[M+Na-2H]- 293.22507 177.1
[M]+ 272.24985 174.4
[M]- 272.25095 174.4
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.