CID 13969544

Nezukol

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@@]1(CC[C@@H]2[C@]3(CCCC([C@@H]3CC[C@]2(C1)O)(C)C)C)C=C
InChI
InChI=1S/C20H34O/c1-6-18(4)12-8-16-19(5)11-7-10-17(2,3)15(19)9-13-20(16,21)14-18/h6,15-16,21H,1,7-14H2,2-5H3/t15-,16+,18-,19-,20+/m0/s1
InChIKey
IYDAPILQPCDHTO-HHUCQEJWSA-N
Compound name
(4aS,4bR,7S,8aR,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

290.26096 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 172.5
[M+Na]+ 313.25018 177.8
[M-H]- 289.25368 174.9
[M+NH4]+ 308.29478 197.3
[M+K]+ 329.22412 172.9
[M+H-H2O]+ 273.25822 166.7
[M+HCOO]- 335.25916 181.4
[M+CH3COO]- 349.27481 203.3
[M+Na-2H]- 311.23563 175.6
[M]+ 290.26041 165.3
[M]- 290.26151 165.3
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