CID 86289538

C20834

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@H]1CC[C@H]2[C@H]1C[C@@]\3(CC[C@H](/C3=C/C[C@@]2(C)O)C(C)C)C
InChI
InChI=1S/C20H34O/c1-13(2)15-8-10-19(4)12-16-14(3)6-7-18(16)20(5,21)11-9-17(15)19/h9,13-16,18,21H,6-8,10-12H2,1-5H3/b17-9-/t14-,15-,16-,18-,19-,20+/m0/s1
InChIKey
JEGYHIKVYHOKQY-IWDUGTBHSA-N
Compound name
(1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

290.26096 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 194.1
[M+Na]+ 313.250178 198.3
[M-H]- 289.253684 195.6
[M+NH4]+ 308.294783 204.9
[M+K]+ 329.224118 196.6
[M+H-H2O]+ 273.258220 190.6
[M+HCOO]- 335.259161 199.1
[M+CH3COO]- 349.274811 196.5
[M+Na-2H]- 311.235626 187.9
[M]+ 290.26041142 191.8
[M]- 290.26150858 191.8
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

patents stripe