CID 85281606

Ns00067917

Structural Information

Molecular Formula
C20H30O2
SMILES
CC1(C2CCC3CC(CCC3(C2=CC(=O)C1O)C)(C)C=C)C
InChI
InChI=1S/C20H30O2/c1-6-19(4)9-10-20(5)13(12-19)7-8-14-15(20)11-16(21)17(22)18(14,2)3/h6,11,13-14,17,22H,1,7-10,12H2,2-5H3
InChIKey
QPBXGHPGNJJSFO-UHFFFAOYSA-N
Compound name
7-ethenyl-2-hydroxy-1,1,4b,7-tetramethyl-2,5,6,8,8a,9,10,10a-octahydrophenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.231856 171.5
[M+Na]+ 325.213798 178.7
[M-H]- 301.217304 174.7
[M+NH4]+ 320.258403 194.5
[M+K]+ 341.187738 173.6
[M+H-H2O]+ 285.221840 166.2
[M+HCOO]- 347.222781 182.2
[M+CH3COO]- 361.238431 206.7
[M+Na-2H]- 323.199246 173.9
[M]+ 302.22403142 166.9
[M]- 302.22512858 166.9
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.