CID 176454343

4,16-didehydroxyvinigrol

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@@H]1CC[C@@H]([C@@H]2C=C(C[C@@H]3[C@H]1CC[C@H]([C@@]32O)C)C)C(C)C
InChI
InChI=1S/C20H34O/c1-12(2)16-8-6-14(4)17-9-7-15(5)20(21)18(16)10-13(3)11-19(17)20/h10,12,14-19,21H,6-9,11H2,1-5H3/t14-,15-,16-,17+,18+,19-,20+/m1/s1
InChIKey
RLYBIWBUYMIHOF-DUBPVYKHSA-N
Compound name
(1R,2R,5S,6R,9R,10R,14R)-2,6,12-trimethyl-9-propan-2-yltricyclo[8.4.0.05,14]tetradec-11-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 182.8
[M+Na]+ 313.25018 186.3
[M-H]- 289.25368 183.6
[M+NH4]+ 308.29478 191.5
[M+K]+ 329.22412 185.0
[M+H-H2O]+ 273.25822 178.6
[M+HCOO]- 335.25916 186.4
[M+CH3COO]- 349.27481 233.4
[M+Na-2H]- 311.23563 178.4
[M]+ 290.26041 180.2
[M]- 290.26151 180.2
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.