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]+ 287.23696 170.1
[M+Na]+ 309.21890 176.1
[M-H]- 285.22240 174.3
[M+NH4]+ 304.26350 192.2
[M+K]+ 325.19284 171.8
[M+H-H2O]+ 269.22694 163.7
[M+HCOO]- 331.22788 182.4
[M+CH3COO]- 345.24353 207.2
[M+Na-2H]- 307.20435 171.7
[M]+ 286.22913 166.1
[M]- 286.23023 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.