CID 56927769

(13r)-edaxadiene

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@H]1CC=C2[C@H]([C@]1(C)CC[C@](C)(C=C)O)CCCC2(C)C
InChI
InChI=1S/C20H34O/c1-7-19(5,21)13-14-20(6)15(2)10-11-16-17(20)9-8-12-18(16,3)4/h7,11,15,17,21H,1,8-10,12-14H2,2-6H3/t15-,17+,19-,20+/m0/s1
InChIKey
TXBORCBWDUAHAC-MFHCWRBVSA-N
Compound name
(3R)-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 174.2
[M+Na]+ 313.25018 184.3
[M+NH4]+ 308.29478 185.3
[M+K]+ 329.22412 173.3
[M-H]- 289.25368 175.9
[M+Na-2H]- 311.23563 179.5
[M]+ 290.26041 176.5
[M]- 290.26151 176.5
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.