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

5
Patents

290.26096 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 194.1
[M+Na]+ 313.25018 198.3
[M-H]- 289.25368 195.6
[M+NH4]+ 308.29478 204.9
[M+K]+ 329.22412 196.6
[M+H-H2O]+ 273.25822 190.6
[M+HCOO]- 335.25916 199.1
[M+CH3COO]- 349.27481 196.5
[M+Na-2H]- 311.23563 187.9
[M]+ 290.26041 191.8
[M]- 290.26151 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