CID 484398

471-79-4

Structural Information

Molecular Formula
C17H24
SMILES
C[C@]12CCCC([C@@H]1CCC3=CC=CC=C23)(C)C
InChI
InChI=1S/C17H24/c1-16(2)11-6-12-17(3)14-8-5-4-7-13(14)9-10-15(16)17/h4-5,7-8,15H,6,9-12H2,1-3H3/t15-,17+/m0/s1
InChIKey
HOJLWWVMRBERAQ-DOTOQJQBSA-N
Compound name
(4aS,10aS)-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

13
Patents

228.1878 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19508 155.3
[M+Na]+ 251.17702 162.0
[M-H]- 227.18052 159.9
[M+NH4]+ 246.22162 179.5
[M+K]+ 267.15096 157.5
[M+H-H2O]+ 211.18506 148.5
[M+HCOO]- 273.18600 171.0
[M+CH3COO]- 287.20165 166.9
[M+Na-2H]- 249.16247 161.6
[M]+ 228.18725 150.8
[M]- 228.18835 150.8
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