CID 154586129

11-oxomiltiradiene

Structural Information

Molecular Formula
C20H30O
SMILES
CC(C)C1=CC(=O)C2=C(C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C
InChI
InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-17-19(3,4)9-6-10-20(17,5)18(14)16(21)12-15/h12-13,17H,6-11H2,1-5H3/t17-,20-/m0/s1
InChIKey
LAHVGYYTGUTYOE-PXNSSMCTSA-N
Compound name
(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydro-1H-phenanthren-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.22968 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.236956 170.1
[M+Na]+ 309.218898 176.1
[M-H]- 285.222404 174.3
[M+NH4]+ 304.263503 192.2
[M+K]+ 325.192838 171.8
[M+H-H2O]+ 269.226940 163.7
[M+HCOO]- 331.227881 182.4
[M+CH3COO]- 345.243531 207.2
[M+Na-2H]- 307.204346 171.7
[M]+ 286.22913142 166.1
[M]- 286.23022858 166.1
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

No patent data available for this compound.