CID 442027

Ferruginol

Structural Information

Molecular Formula
C20H30O
SMILES
CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)O
InChI
InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1
InChIKey
QXNWVJOHUAQHLM-AZUAARDMSA-N
Compound name
(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

102
References

2347
Patents

286.22968 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.23696 171.7
[M+Na]+ 309.21890 184.0
[M+NH4]+ 304.26350 184.5
[M+K]+ 325.19284 172.2
[M-H]- 285.22240 175.4
[M+Na-2H]- 307.20435 177.8
[M]+ 286.22913 175.0
[M]- 286.23023 175.0
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

patents stripe