CID 10912665

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

1
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]+ 273.257676 173.1
[M+Na]+ 295.239618 175.1
[M-H]- 271.243124 174.7
[M+NH4]+ 290.284223 189.4
[M+K]+ 311.213558 170.5
[M+H-H2O]+ 255.247660 166.6
[M+HCOO]- 317.248601 188.7
[M+CH3COO]- 331.264251 205.1
[M+Na-2H]- 293.225066 169.2
[M]+ 272.24985142 170.4
[M]- 272.25094858 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.