CID 102404353

Chebi:142226

Structural Information

Molecular Formula
C20H30O
SMILES
CC1=C(C(CC=C1)(C)C)/C=C/C(=C/C=C/C(C)CCO)/C
InChI
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-12,17,21H,13-15H2,1-5H3/b9-6+,12-11+,16-8+
InChIKey
HRIZQYUEJYDJLD-HRYGCDPOSA-N
Compound name
(4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6,8-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.22968 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.236956 173.1
[M+Na]+ 309.218898 177.9
[M-H]- 285.222404 174.4
[M+NH4]+ 304.263503 190.7
[M+K]+ 325.192838 172.6
[M+H-H2O]+ 269.226940 167.8
[M+HCOO]- 331.227881 190.0
[M+CH3COO]- 345.243531 203.2
[M+Na-2H]- 307.204346 171.5
[M]+ 286.22913142 172.6
[M]- 286.23022858 172.6
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.