CID 101530366

Dtxsid70886939

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)OCC=C(C)C
InChI
InChI=1S/C20H34O/c1-14(2)9-12-21-19(6)10-11-20-13-17(19)18(4,5)16(20)8-7-15(20)3/h9,15-17H,7-8,10-13H2,1-6H3/t15-,16+,17-,19-,20+/m1/s1
InChIKey
KZKIRFLJWHVKJB-DSJDWBEOSA-N
Compound name
(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-(3-methylbut-2-enoxy)tricyclo[5.3.1.01,5]undecane
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 175.3
[M+Na]+ 313.25018 181.4
[M-H]- 289.25368 178.8
[M+NH4]+ 308.29478 202.9
[M+K]+ 329.22412 176.5
[M+H-H2O]+ 273.25822 171.5
[M+HCOO]- 335.25916 189.2
[M+CH3COO]- 349.27481 206.3
[M+Na-2H]- 311.23563 174.3
[M]+ 290.26041 174.6
[M]- 290.26151 174.6
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.