CID 5932616

Nsc646181

Structural Information

Molecular Formula
C21H30O
SMILES
CC(=CCC/C(=C\CC/C(=C/C(C1=CC=CC=C1)O)/C)/C)C
InChI
InChI=1S/C21H30O/c1-17(2)10-8-11-18(3)12-9-13-19(4)16-21(22)20-14-6-5-7-15-20/h5-7,10,12,14-16,21-22H,8-9,11,13H2,1-4H3/b18-12-,19-16+
InChIKey
ZNAHOZYZXOHJLX-DKPPNDFSSA-N
Compound name
(2E,6Z)-3,7,11-trimethyl-1-phenyldodeca-2,6,10-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.22968 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.23696 180.1
[M+Na]+ 321.21890 182.1
[M-H]- 297.22240 180.5
[M+NH4]+ 316.26350 194.4
[M+K]+ 337.19284 177.0
[M+H-H2O]+ 281.22694 173.2
[M+HCOO]- 343.22788 196.0
[M+CH3COO]- 357.24353 205.7
[M+Na-2H]- 319.20435 176.4
[M]+ 298.22913 179.1
[M]- 298.23023 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.