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]+ 291.268236 173.2
[M+Na]+ 313.250178 178.3
[M-H]- 289.253684 175.2
[M+NH4]+ 308.294783 193.8
[M+K]+ 329.224118 174.0
[M+H-H2O]+ 273.258220 168.8
[M+HCOO]- 335.259161 185.4
[M+CH3COO]- 349.274811 205.0
[M+Na-2H]- 311.235626 175.7
[M]+ 290.26041142 170.4
[M]- 290.26150858 170.4
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.