CID 10912665

(r)-axinyssene

Structural Information

Molecular Formula
C20H32
SMILES
CC1=CC[C@@H](CC1)C(=C)CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C20H32/c1-16(2)8-6-9-17(3)10-7-11-19(5)20-14-12-18(4)13-15-20/h8,10,12,20H,5-7,9,11,13-15H2,1-4H3/b17-10+/t20-/m0/s1
InChIKey
XENHETWDODOOQC-YZILGEIOSA-N
Compound name
(4R)-4-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-methylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 173.1
[M+Na]+ 295.23962 175.1
[M-H]- 271.24312 174.7
[M+NH4]+ 290.28422 189.4
[M+K]+ 311.21356 170.5
[M+H-H2O]+ 255.24766 166.6
[M+HCOO]- 317.24860 188.7
[M+CH3COO]- 331.26425 205.1
[M+Na-2H]- 293.22507 169.2
[M]+ 272.24985 170.4
[M]- 272.25095 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.