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 169.3
[M+Na]+ 295.23962 174.1
[M-H]- 271.24312 173.1
[M+NH4]+ 290.28422 191.8
[M+K]+ 311.21356 169.7
[M+H-H2O]+ 255.24766 162.5
[M+HCOO]- 317.24860 181.2
[M+CH3COO]- 331.26425 204.8
[M+Na-2H]- 293.22507 171.1
[M]+ 272.24985 164.0
[M]- 272.25095 164.0
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.