CID 156587246

Penichrysol

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@H]1CC[C@H]([C@]2([C@@]13C[C@]4(CCC([C@H]4[C@@H]3CC2)(C)C)C)C)O
InChI
InChI=1S/C20H34O/c1-13-6-7-15(21)19(5)9-8-14-16-17(2,3)10-11-18(16,4)12-20(13,14)19/h13-16,21H,6-12H2,1-5H3/t13-,14-,15+,16+,18+,19-,20-/m0/s1
InChIKey
RRJWCNIOKHDFRX-AFJLWXLSSA-N
Compound name
(1S,2S,5R,6R,9S,10R,14R)-2,6,11,11,14-pentamethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 174.6
[M+Na]+ 313.25018 182.5
[M-H]- 289.25368 179.8
[M+NH4]+ 308.29478 205.5
[M+K]+ 329.22412 175.9
[M+H-H2O]+ 273.25822 171.5
[M+HCOO]- 335.25916 187.2
[M+CH3COO]- 349.27481 185.5
[M+Na-2H]- 311.23563 173.0
[M]+ 290.26041 170.9
[M]- 290.26151 170.9
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.