CID 371616

Nsc646014

Structural Information

Molecular Formula
C20H30O
SMILES
CC(C)C1=CC2=C(C=C1)[C@]3(CC[C@@H](C(C3CC2)(C)C)O)C
InChI
InChI=1S/C20H30O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h6,8,12-13,17-18,21H,7,9-11H2,1-5H3/t17?,18-,20+/m0/s1
InChIKey
WTHUMSLQUHCWCH-AQCCAAQSSA-N
Compound name
(2S,4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.22968 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.23696 171.0
[M+Na]+ 309.21890 177.4
[M-H]- 285.22240 174.3
[M+NH4]+ 304.26350 192.7
[M+K]+ 325.19284 172.7
[M+H-H2O]+ 269.22694 165.0
[M+HCOO]- 331.22788 183.1
[M+CH3COO]- 345.24353 205.1
[M+Na-2H]- 307.20435 173.2
[M]+ 286.22913 167.5
[M]- 286.23023 167.5
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.