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]+ 287.23696 173.1
[M+Na]+ 309.21890 177.9
[M-H]- 285.22240 174.4
[M+NH4]+ 304.26350 190.7
[M+K]+ 325.19284 172.6
[M+H-H2O]+ 269.22694 167.8
[M+HCOO]- 331.22788 190.0
[M+CH3COO]- 345.24353 203.2
[M+Na-2H]- 307.20435 171.5
[M]+ 286.22913 172.6
[M]- 286.23023 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.